data_2fei_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 2fei _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -145.73 144.05 30.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 m -148.14 142.12 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' LYS . 4.1 ttpt -119.58 126.23 50.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.05 0.452 . . . . 0.0 111.198 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.54 144.06 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.22 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -91.73 -26.72 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.406 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.414 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -127.27 178.97 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 111.071 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -94.59 153.84 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.405 ' CD2' HD11 ' A' ' 20' ' ' LEU . 18.7 t80 -126.91 144.12 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.4 106.84 44.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.74 153.14 29.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.51 2.14 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.23 -34.92 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -103.89 163.39 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -30.85 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -70.29 -13.43 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.306 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -99.07 134.28 42.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.879 0.371 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.33 163.67 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -98.47 107.26 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 4.7 mt -81.68 111.44 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.33 137.95 32.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.03 128.67 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.11 -5.83 84.07 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.864 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.29 140.57 30.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.961 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.3 mm -95.85 127.25 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.5 mt -124.32 127.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.1 119.61 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.7 pt -86.55 133.06 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -104.05 -45.79 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -162.73 142.47 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 107.79 19.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.2 t -60.07 -41.01 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -144.97 172.85 12.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -29.97 68.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.15 -36.54 3.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -100.9 121.52 41.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -116.68 161.48 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.9 m -111.79 157.39 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.31 176.22 40.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 m -143.61 115.8 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.08 -76.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -115.68 -73.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.6 26.0 2.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -127.69 147.2 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.01 141.68 51.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.37 -172.95 35.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.5 158.57 39.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.452 ' CE2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.46 160.81 12.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.04 127.75 26.22 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.632 2.221 . . . . 0.0 112.409 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.13 -19.5 66.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.339 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -62.01 -24.82 67.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.355 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' O ' ' A' ' 53' ' ' VAL . 17.6 m-85 -76.76 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.677 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.577 ' O ' ' O ' ' A' ' 52' ' ' PHE . 15.5 m -16.72 145.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -123.52 116.68 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.905 0.383 . . . . 0.0 111.471 179.407 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -64.16 136.55 57.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.033 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -151.18 149.71 29.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.8 m -148.17 149.5 32.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.537 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -117.03 126.2 52.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.146 0.498 . . . . 0.0 111.202 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.426 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 3.2 t -64.33 143.7 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.506 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.447 HD12 ' HB2' ' A' ' 8' ' ' PHE . 4.4 pp -95.22 -21.16 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.819 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.447 ' HB2' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -114.61 178.91 4.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.752 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -100.21 168.21 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -155.04 144.22 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 tp -117.18 118.77 35.54 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.94 127.66 13.94 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.384 2.056 . . . . 0.0 112.334 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -39.08 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -89.83 167.43 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -37.13 83.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.23 48.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -140.41 126.38 19.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 163.69 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -93.99 107.27 19.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 48' ' ' PHE . 7.3 mt -88.56 91.57 8.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -79.31 140.24 37.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.749 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.28 128.82 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.2 -5.8 65.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -93.56 126.64 38.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.8 0.333 . . . . 0.0 110.992 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.6 tt -98.01 127.64 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.4 ' CD1' ' CD2' ' A' ' 20' ' ' LEU . 20.3 mt -120.73 138.57 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.22 119.58 24.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.8 pt -80.86 134.6 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.41 -46.16 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.38 164.78 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.132 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.88 147.99 23.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.6 -62.54 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.14 -174.39 4.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -84.67 59.78 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.64 -41.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.528 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -127.0 132.7 50.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.424 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 10.7 m0 -113.08 161.66 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m -110.0 157.46 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.37 172.37 31.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -142.33 144.58 33.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.07 113.49 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.972 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.41 -83.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -145.55 16.57 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.237 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.85 128.5 45.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.774 0.321 . . . . 0.0 110.858 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -121.78 137.77 54.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.17 165.58 27.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.381 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.54 148.63 31.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.451 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.48 167.21 8.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.433 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 33.0 Cg_exo -57.83 120.86 9.04 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.557 2.171 . . . . 0.0 112.373 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.424 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 13.7 p -65.31 -19.91 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.269 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -62.32 -22.7 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.281 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' ' O ' ' A' ' 53' ' ' VAL . 5.6 m-85 -76.64 -86.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 52' ' ' PHE . 9.4 m -16.59 145.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 3.7 tttt -127.02 125.68 41.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.981 0.42 . . . . 0.0 111.561 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.83 136.63 38.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.938 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.998 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -130.56 151.81 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.4 m -148.01 148.35 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -128.25 126.99 41.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.051 0.453 . . . . 0.0 111.187 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 4.4 t -61.51 143.75 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 8' ' ' PHE . 3.6 pp -96.35 -21.17 17.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.423 ' HB2' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -114.59 179.0 4.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 111.005 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -104.58 149.64 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -138.36 134.27 34.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.34 106.84 53.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.84 128.36 8.43 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -95.93 -30.35 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -100.88 154.93 18.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.32 -33.73 76.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -65.37 -18.06 65.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.257 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.02 141.57 31.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.852 0.358 . . . . 0.0 111.007 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.1 158.64 16.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -89.21 109.13 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD22 ' CG ' ' A' ' 48' ' ' PHE . 3.1 mp -90.51 110.07 21.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -99.26 163.28 12.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -68.09 128.82 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' HA2' ' HE2' ' A' ' 5' ' ' LYS . . . 90.48 -5.89 82.42 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.881 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -79.5 132.73 36.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.002 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.8 tt -113.26 124.17 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -114.95 125.92 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.15 119.52 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.442 HD12 HG23 ' A' ' 28' ' ' ILE . 34.0 pt -86.56 136.16 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.184 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.27 -45.94 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.77 164.74 26.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.418 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 6.2 mt-10 -95.11 152.59 18.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 t -89.03 -66.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.91 -72.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -173.88 35.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.19 -51.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.333 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -101.38 131.15 47.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 110.61 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.424 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 6.3 m0 -111.96 159.74 18.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.025 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -110.06 135.72 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.1 177.63 25.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.542 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 m -132.58 127.31 34.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.38 30.44 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.8 t30 57.99 21.82 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 176.46 -43.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.727 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.42 145.29 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.22 123.32 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.1 160.0 31.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.584 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 pp -107.54 161.89 14.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.456 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -166.49 167.74 7.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.048 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.86 124.6 16.37 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.64 2.227 . . . . 0.0 112.393 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.424 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 10.8 t -65.14 -19.68 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.251 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -25.62 67.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.168 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.556 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-85 -76.67 -85.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.727 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.556 ' O ' ' O ' ' A' ' 52' ' ' PHE . 27.2 m -16.54 145.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.0 tttt -122.8 120.15 32.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.313 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.86 136.58 57.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -141.05 151.0 43.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -146.03 140.63 26.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -117.28 126.17 52.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.199 0.523 . . . . 0.0 111.409 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -64.64 144.01 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.25 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.441 ' HG ' ' CB ' ' A' ' 54' ' ' LYS . 3.3 mt -97.27 -21.35 17.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.025 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -114.63 178.9 4.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.864 0.364 . . . . 0.0 111.018 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.78 161.45 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 60.6 t80 -149.84 144.06 25.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.43 106.84 59.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -79.94 -44.97 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.473 2.116 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 54.65 29.69 11.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.057 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.87 152.87 19.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.05 -31.59 72.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.15 -35.89 74.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -99.54 134.59 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tp -97.91 149.81 22.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -83.03 107.28 15.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD12 ' CG ' ' A' ' 48' ' ' PHE . 40.7 mt -87.41 84.04 7.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.769 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -79.29 143.96 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.22 134.69 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.22 -5.83 75.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.765 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.48 130.83 44.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.795 0.331 . . . . 0.0 111.0 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.2 tt -106.43 125.47 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mp -118.75 139.47 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -93.37 126.18 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.422 HG12 ' CE3' ' A' ' 37' ' ' TRP . 1.9 mp -68.8 136.14 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -105.41 -36.22 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.37 129.66 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -77.33 122.82 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.3 t -70.64 -62.73 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -136.88 -159.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.688 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -92.34 30.63 1.44 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.869 0.366 . . . . 0.0 110.987 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.41 -43.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.208 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -95.64 131.28 42.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.791 0.329 . . . . 0.0 110.699 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CE3' HG12 ' A' ' 28' ' ' ILE . 8.8 m0 -114.43 161.78 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.057 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 t -109.86 157.53 19.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.59 151.99 23.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.0 m -136.79 111.76 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.37 87.24 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.46 -73.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -144.17 31.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 112.72 19.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.63 144.99 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 179.83 163.17 30.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.7 mt -123.97 148.79 46.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -162.59 165.6 15.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.94 124.23 15.51 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.555 2.17 . . . . 0.0 112.34 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.411 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 16.9 t -64.01 -19.89 65.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.39 -28.69 69.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' O ' ' O ' ' A' ' 53' ' ' VAL . 16.7 m-85 -66.86 -88.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.712 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.571 ' O ' ' O ' ' A' ' 52' ' ' PHE . 15.5 m -16.73 145.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 6.7 tptt -135.24 117.5 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.075 0.464 . . . . 0.0 111.748 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.13 136.57 39.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.035 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -128.04 157.37 40.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 14.5 m -145.77 141.16 27.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -117.23 126.06 52.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.262 0.553 . . . . 0.0 111.432 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 18.2 t -62.52 143.94 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.458 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' A' ' 54' ' ' LYS . 6.2 mt -94.38 -32.84 13.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.51 178.85 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.963 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.73 165.38 11.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 33.4 t80 -143.15 143.62 31.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mm -111.23 106.75 57.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.67 157.79 28.24 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.473 2.116 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.5 23.29 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.87 153.69 21.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.779 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -29.91 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.01 -14.75 61.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.336 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.93 134.33 41.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.854 0.359 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -97.89 161.16 13.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.72 107.17 19.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 3.1 mm? -73.04 99.79 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.759 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.28 127.97 32.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.31 128.74 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.67 83.12 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.938 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.54 132.99 44.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.921 0.391 . . . . 0.0 111.036 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 tt -97.95 141.07 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mp -123.82 136.63 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.09 119.47 22.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.8 pt -86.76 123.02 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -90.95 -46.08 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -167.39 164.68 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.124 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.422 ' HG3' ' CD1' ' A' ' 37' ' ' TRP . 33.8 tt0 -92.33 128.18 38.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.2 p -74.59 -44.37 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.01 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.98 174.21 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.98 115.62 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.0 -25.88 13.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.628 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -128.14 154.1 46.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.968 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CD1' ' HG3' ' A' ' 31' ' ' GLU . 2.5 m95 -141.27 161.49 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -110.05 150.57 28.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.61 167.51 29.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -155.25 128.81 8.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.32 -49.46 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -178.46 -49.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -119.55 -31.15 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -91.8 141.58 28.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.998 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 tp -133.18 141.64 48.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.791 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.6 -175.46 40.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.561 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -129.6 155.76 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.38 167.73 8.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.85 121.43 10.0 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.554 2.17 . . . . 0.0 112.338 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.407 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 10.0 t -61.13 -19.87 62.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -62.3 -27.11 68.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.116 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' O ' ' O ' ' A' ' 53' ' ' VAL . 9.0 m-85 -70.03 -89.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.799 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.578 ' O ' ' O ' ' A' ' 52' ' ' PHE . 15.7 m -16.64 145.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 113.034 0.754 . . . . 0.0 113.034 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 2.3 tptm -140.98 116.95 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 0.0 112.153 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 7.4 tt0 -68.1 133.13 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.876 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.848 0.356 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -130.37 165.04 23.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.1 m -147.36 153.0 39.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -124.94 126.8 46.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.061 0.458 . . . . 0.0 111.327 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.408 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 5.4 t -61.45 143.91 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.451 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.419 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 1.6 pp -92.73 -24.49 18.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.306 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.408 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -114.83 178.97 4.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.923 0.392 . . . . 0.0 111.137 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.77 164.36 13.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -151.05 141.55 22.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.87 116.13 38.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.03 149.11 28.39 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.448 2.099 . . . . 0.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -103.78 -33.91 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -133.14 174.33 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.99 -32.22 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.8 -30.39 70.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -99.07 138.02 36.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.16 157.13 18.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -90.7 107.21 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' CD1' ' CD2' ' A' ' 48' ' ' PHE . 37.9 mt -88.39 122.74 32.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.013 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -97.14 152.34 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.656 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 m -65.73 128.48 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.97 -5.7 84.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.989 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.02 132.64 34.01 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 111.169 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -102.19 140.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -131.99 127.75 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.74 119.66 22.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.407 HG12 ' CE3' ' A' ' 37' ' ' TRP . 2.3 mp -69.2 136.19 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.57 -38.84 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.37 133.15 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -76.57 142.33 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.48 -50.82 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -176.69 176.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.58 66.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.87 -41.12 0.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -120.97 135.01 55.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 0.8 OUTLIER -124.77 159.55 30.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.06 157.47 19.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.75 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.07 151.72 22.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.621 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -123.47 131.67 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.723 0.296 . . . . 0.0 110.737 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.2 82.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.197 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 56.48 85.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.249 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.5 m120 52.61 27.73 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.229 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.15 124.49 41.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.97 145.48 29.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.78 161.04 34.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.425 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mt -134.2 148.62 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.453 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.5 164.5 10.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.44 130.34 28.08 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.607 2.205 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.418 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 63.6 p -65.1 -19.82 66.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.23 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -62.29 -28.15 69.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.097 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.3 m-85 -77.38 -82.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.784 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.557 ' O ' ' O ' ' A' ' 52' ' ' PHE . 6.9 m -16.51 145.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -123.69 118.34 27.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.281 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -87.27 136.54 32.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.967 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.911 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.796 0.332 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -149.02 153.71 38.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 55.8 m -141.61 161.69 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 7.2 ttpt -123.71 126.27 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.421 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.0 t -62.9 143.94 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.35 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 1.1 pp -91.92 -22.71 19.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.302 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.4 ' HB2' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -119.47 178.98 4.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.875 0.369 . . . . 0.0 111.094 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.76 142.22 27.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.769 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -124.4 143.96 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.002 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.63 123.11 25.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.37 157.01 25.68 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.427 2.085 . . . . 0.0 112.47 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -136.68 -47.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -83.96 171.51 12.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -66.43 -31.34 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -96.65 41.85 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -130.48 123.49 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.99 152.28 19.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.784 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -86.0 107.28 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -101.92 93.81 5.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -79.34 153.24 29.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.8 128.78 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 -5.81 63.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.829 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.62 134.3 34.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.2 mt -99.82 139.96 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.23 126.63 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.71 121.83 27.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.6 136.17 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.019 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.8 -46.01 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -167.35 164.57 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.0 152.44 29.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.78 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -119.23 -65.62 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.305 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -120.68 161.56 21.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.008 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.79 112.62 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.0 19.93 60.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.424 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -147.13 120.83 9.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.792 0.33 . . . . 0.0 110.638 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -111.91 160.78 17.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.043 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.07 157.44 19.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -159.74 172.71 36.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.545 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.1 m -135.15 154.62 51.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -124.45 -74.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -141.0 -58.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -139.83 19.71 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -127.77 133.94 49.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.765 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tp -132.87 137.19 46.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.65 177.08 47.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mt -112.62 148.75 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -156.27 164.21 22.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.802 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.58 121.06 9.25 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.595 2.197 . . . . 0.0 112.37 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -19.67 65.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.216 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.11 -26.32 68.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.172 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' O ' ' O ' ' A' ' 53' ' ' VAL . 7.3 m-85 -71.76 -86.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.746 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.571 ' O ' ' O ' ' A' ' 52' ' ' PHE . 19.1 m -16.66 145.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -123.87 126.33 46.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.36 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.12 136.6 50.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.043 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -148.72 144.45 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.0 m -147.76 143.03 27.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.637 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 1.4 tmmm? -121.38 126.47 49.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.165 0.507 . . . . 0.0 111.326 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 3.3 t -63.51 143.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.349 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 8' ' ' PHE . 3.7 pp -95.57 -21.92 17.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.104 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.446 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -116.77 178.98 4.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.829 0.347 . . . . 0.0 110.829 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -107.46 154.03 21.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -137.56 144.25 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.43 107.04 47.71 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -78.66 -167.14 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.574 2.182 . . . . 0.0 112.274 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -158.18 -42.09 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -94.39 166.67 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.351 . . . . 0.0 111.068 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.55 -19.08 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.33 29.46 2.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.785 0.326 . . . . 0.0 111.056 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -143.93 121.51 11.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.746 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.6 tp -97.89 151.52 20.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.62 107.35 18.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 41.3 mt -80.04 110.65 15.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -91.22 142.63 27.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 m -63.75 128.78 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.01 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.41 -5.69 83.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.851 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.76 128.31 36.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.829 0.347 . . . . 0.0 111.021 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.3 tt -97.72 124.19 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.38 123.12 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -74.19 119.56 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.8 pt -86.6 122.41 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -93.94 -44.84 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -157.6 163.3 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 125.91 37.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 m -72.97 -37.27 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -178.12 -178.94 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.54 102.29 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.77 -54.39 0.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -99.39 139.74 34.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.703 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -118.22 161.39 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -117.91 155.6 29.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.08 175.1 34.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.538 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.58 167.32 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.793 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.63 -53.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -166.16 82.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 60.61 21.52 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.68 118.34 23.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.73 146.17 33.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.34 169.12 40.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -127.14 153.52 45.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' CE2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.35 164.21 11.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.06 122.8 12.33 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.608 2.205 . . . . 0.0 112.259 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 t -64.37 -20.37 66.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -62.42 -26.82 68.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.563 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-85 -72.95 -84.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.788 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.563 ' O ' ' O ' ' A' ' 52' ' ' PHE . 16.6 m -16.56 145.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -125.59 116.67 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.412 179.184 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.8 136.52 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.736 0.303 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -147.14 147.29 30.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.3 m -148.04 149.74 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -117.08 126.48 52.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 111.226 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -61.84 143.75 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.312 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 pp -96.63 -21.46 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.157 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.74 178.96 4.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.849 0.356 . . . . 0.0 111.01 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.36 150.16 27.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.744 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.497 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 44.4 t80 -132.99 144.17 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.018 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 mm -116.98 106.96 46.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.85 155.48 48.6 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.457 2.105 . . . . 0.0 112.425 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -107.55 -31.2 8.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.793 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -118.57 167.59 11.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -30.41 70.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -63.49 -23.86 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -99.02 134.62 41.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.992 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.96 154.78 17.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -92.64 107.58 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' CD2' ' CD2' ' A' ' 48' ' ' PHE . 3.4 mm? -68.7 106.77 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -82.97 124.69 30.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.73 128.86 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.37 -5.76 83.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.26 133.93 38.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.847 0.356 . . . . 0.0 111.136 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.9 tt -96.95 124.18 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.99 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -111.02 137.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.274 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -94.59 119.85 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 mt -78.01 136.21 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -97.21 -46.11 6.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -167.45 148.06 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.17 151.57 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.04 -57.89 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.213 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.76 165.76 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.51 114.56 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.663 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.68 -20.85 47.83 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.45 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -106.55 109.46 21.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.421 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 11.6 m0 -112.03 161.8 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.03 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -109.81 157.5 19.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.996 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.52 164.64 30.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.0 m -118.92 136.02 54.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.3 mt -145.93 94.75 2.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m120 67.77 60.85 0.44 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.21 25.73 11.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.357 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -127.73 130.77 49.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mp -104.5 124.29 49.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.63 143.05 14.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.34 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mp -102.17 148.57 25.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.449 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.52 167.53 8.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.874 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.87 121.2 9.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.627 2.218 . . . . 0.0 112.519 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.421 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 89.4 p -65.14 -19.61 66.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.342 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -61.98 -18.57 60.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.398 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' O ' ' A' ' 53' ' ' VAL . 28.5 m-85 -79.82 -87.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.65 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.574 ' O ' ' O ' ' A' ' 52' ' ' PHE . 29.7 m -16.73 145.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -124.89 132.03 53.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.979 0.418 . . . . 0.0 111.473 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -73.43 136.58 44.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.804 0.335 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -139.25 146.63 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.7 m -144.81 149.29 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.716 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' LYS . 5.3 ttmt -117.16 126.26 52.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.295 0.569 . . . . 0.0 111.536 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 2.8 t -69.14 144.05 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.22 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' A' ' 54' ' ' LYS . 2.5 mt -91.72 -27.63 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.23 178.85 4.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.67 149.21 28.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -127.57 143.72 51.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.7 tt -117.05 120.62 33.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.7 144.38 35.23 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.407 2.072 . . . . 0.0 112.383 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -37.33 4.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.87 166.55 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.5 -28.76 69.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -94.66 43.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -138.6 133.46 32.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 tp -97.95 162.15 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -105.29 107.35 18.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.402 HD23 ' CZ ' ' A' ' 48' ' ' PHE . 22.7 mt -89.43 108.34 19.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 139.43 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.32 128.87 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.25 -5.7 84.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.842 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -84.43 143.53 29.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.86 0.362 . . . . 0.0 111.049 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.7 mm -95.98 128.16 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 mp -128.74 128.27 67.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.322 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -96.87 123.78 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.421 HG12 ' CE3' ' A' ' 37' ' ' TRP . 3.8 mp -77.04 125.8 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.69 -31.32 13.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -166.95 133.09 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.09 129.25 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.42 -64.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -167.02 178.47 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 85.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 -49.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.577 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -108.04 129.63 55.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.421 ' CE3' HG12 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -123.6 161.66 24.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.92 157.44 19.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.79 165.89 33.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 m -147.62 139.66 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.85 -32.67 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.13 -70.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -129.31 17.3 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.11 121.78 36.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.36 136.8 54.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.3 -174.91 29.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.406 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 mp -127.41 148.77 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.402 ' CZ ' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -163.66 166.96 11.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.93 121.07 9.38 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.498 2.132 . . . . 0.0 112.309 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.421 ' HB2' ' CG ' ' A' ' 37' ' ' TRP . 21.3 t -63.03 -19.8 64.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.192 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.28 -26.42 68.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.269 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' ' O ' ' A' ' 53' ' ' VAL . 3.8 m-85 -66.89 -90.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.57 ' O ' ' O ' ' A' ' 52' ' ' PHE . 11.3 m -16.75 145.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -137.26 116.35 12.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.01 0.433 . . . . 0.0 111.978 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.93 136.52 57.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.009 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -136.96 153.62 50.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 m -146.6 140.58 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 7.2 ttpt -123.96 125.51 44.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.187 0.518 . . . . 0.0 111.283 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' A' ' 53' ' ' VAL . 9.6 t -62.3 144.09 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.329 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.62 -24.83 19.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.54 179.0 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 111.044 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.43 148.73 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -138.75 144.07 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -125.39 131.29 24.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.75 145.07 15.86 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.543 2.162 . . . . 0.0 112.393 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -128.15 -42.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -83.92 171.29 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.967 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.32 -37.16 84.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.22 58.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -140.5 124.32 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.54 153.55 19.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.47 107.2 17.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -106.23 87.97 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 168.41 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 t -66.51 128.76 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.34 -5.79 71.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.938 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.63 130.14 37.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.809 0.338 . . . . 0.0 111.065 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.8 mm -95.91 128.15 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.37 139.06 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.19 119.63 33.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.7 pt -83.64 135.96 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -108.91 -46.04 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -167.41 151.24 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.47 134.88 39.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.0 t -87.58 -67.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -134.75 170.85 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.6 90.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.36 -22.81 5.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.651 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -116.39 132.09 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 3.1 m0 -120.46 161.56 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.6 m -113.27 154.41 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.27 171.53 39.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 m -133.63 117.04 16.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.92 -62.56 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -133.01 -62.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.779 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -146.37 21.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.76 137.92 52.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.821 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 tt -110.45 111.54 22.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.63 -159.27 10.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.85 148.47 34.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.451 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.5 160.61 12.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.96 124.69 16.55 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.597 2.198 . . . . 0.0 112.311 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.422 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 46.8 t -63.64 -19.74 65.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.212 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.2 -25.68 67.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.583 ' O ' ' O ' ' A' ' 53' ' ' VAL . 6.7 m-85 -74.85 -89.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.704 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.583 ' O ' ' O ' ' A' ' 52' ' ' PHE . 14.6 m -16.75 145.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.6 tmtm? -121.59 123.22 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 111.422 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -75.06 136.15 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -129.41 149.82 51.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.9 m -148.12 140.69 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 4.2 ttpt -119.93 126.5 51.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.096 0.474 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 5.4 t -61.77 143.93 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.452 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.402 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -95.17 -21.61 18.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.335 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.402 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -115.11 178.99 4.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.003 0.43 . . . . 0.0 111.232 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.97 141.17 36.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.786 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -124.57 144.16 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.0 mm -121.36 106.84 37.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.03 -167.42 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.471 2.114 . . . . 0.0 112.255 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -160.18 -45.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -92.25 167.14 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -25.09 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -93.57 43.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.029 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -143.93 131.88 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.414 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 3.2 tt -97.91 163.7 12.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.58 107.28 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 82.0 mt -93.19 87.66 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.01 146.0 25.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.1 m -56.56 128.83 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.81 -5.66 64.13 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.748 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.72 135.7 33.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.859 0.362 . . . . 0.0 111.18 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 tt -116.13 124.18 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mt -116.04 138.91 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.198 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.89 119.67 21.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.796 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.423 HG22 ' CE3' ' A' ' 37' ' ' TRP . 43.6 pt -84.62 136.24 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -104.49 -43.21 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -167.41 163.17 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -112.17 133.41 54.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.4 p -73.6 -43.08 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.8 -177.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -76.85 74.22 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.97 -43.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.399 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -124.34 148.38 47.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.798 0.333 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.423 ' CE3' HG22 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -126.66 157.44 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -123.34 143.76 49.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.05 -174.31 21.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.563 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -157.74 109.51 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.02 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -128.96 -69.57 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.37 26.65 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -127.7 142.68 51.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.814 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tt -125.02 124.84 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.35 -172.2 12.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mp -137.97 148.73 45.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.464 ' CE2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.44 163.41 11.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.95 126.5 21.86 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.6 2.2 . . . . 0.0 112.288 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.413 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 2.7 p -64.38 -20.02 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -62.45 -29.07 70.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.114 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' ' O ' ' A' ' 53' ' ' VAL . 10.0 m-85 -70.46 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 52' ' ' PHE . 26.8 m -16.57 145.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -129.0 124.9 36.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.377 . . . . 0.0 111.374 179.067 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.28 136.57 32.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.971 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -141.44 148.13 39.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 96.9 m -148.17 144.24 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -120.12 126.56 51.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.055 0.455 . . . . 0.0 111.192 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.411 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 4.5 t -61.61 143.96 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.306 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.413 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 2.6 pp -92.52 -22.13 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.277 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.411 ' HB2' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -114.71 178.86 4.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.45 155.62 17.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 60.1 t80 -146.39 144.18 29.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.3 mm -112.73 106.92 55.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.78 -46.1 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.448 2.099 . . . . 0.0 112.451 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 54.75 27.28 8.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.17 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -160.86 152.29 19.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -32.06 73.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -29.22 62.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -99.02 138.99 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 1.8 tt -97.92 163.58 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.65 107.19 19.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 48' ' ' PHE . 2.9 mp -93.52 95.22 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -98.75 153.26 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.93 128.81 19.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.92 83.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -86.15 128.22 34.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.998 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tt -108.13 124.13 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 mp -110.29 137.85 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.8 119.54 24.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.6 117.19 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.036 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -91.9 -45.92 8.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.68 164.62 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG2' ' CE2' ' A' ' 37' ' ' TRP . 2.2 mp0 -108.0 121.07 44.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.809 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.1 -41.58 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.28 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 177.68 -178.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -70.76 116.85 11.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.08 -27.24 10.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.406 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -133.25 135.3 44.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.416 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 5.0 m0 -123.22 161.59 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.45 131.53 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.57 -176.6 14.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -163.72 109.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -63.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -143.68 -61.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.8 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.36 22.58 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.022 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -127.75 130.41 48.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.11 117.63 34.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.45 141.05 9.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.53 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.6 mt -102.25 152.09 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -164.03 167.67 10.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.41 120.97 9.02 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.416 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 72.7 p -65.34 -20.35 66.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.225 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -62.38 -30.17 71.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.1 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.572 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.9 m-85 -67.54 -82.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.572 ' O ' ' O ' ' A' ' 52' ' ' PHE . 9.8 m -16.5 145.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 5.5 tttt -120.8 143.83 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.464 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -84.52 136.6 33.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 179.89 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.808 0.337 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -129.78 152.91 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -147.9 154.67 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 1.2 ttpt -117.41 126.32 52.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 t -61.72 143.69 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.426 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.429 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 4.3 pp -95.81 -24.94 16.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.252 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.427 ' HB2' HD13 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -114.77 178.95 4.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.951 0.405 . . . . 0.0 111.125 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -110.1 144.28 38.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -127.53 144.03 51.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.69 106.95 58.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.94 145.01 42.76 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.427 2.085 . . . . 0.0 112.189 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -119.06 -40.34 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -115.33 170.05 8.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.51 -23.48 67.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.14 38.1 1.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -141.68 128.67 20.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -97.88 156.42 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -90.66 107.38 19.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 HD22 ' CG ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -84.85 84.15 7.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -79.26 142.46 36.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.17 130.45 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.56 -5.75 58.74 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.913 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.61 143.45 30.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.4 mt -102.03 139.45 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 mt -125.13 127.75 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -96.52 119.59 35.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.2 136.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -105.62 -43.86 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -150.24 148.14 28.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -83.64 118.61 23.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.9 t -63.22 -69.19 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -149.71 -177.8 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -74.42 64.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.54 -43.13 0.26 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -106.3 135.0 48.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -112.03 161.37 16.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.07 157.42 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.98 163.54 33.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.588 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.1 m -116.65 152.76 33.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.53 56.9 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.2 t30 59.93 89.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 60.85 19.79 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -127.75 108.82 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.01 138.71 38.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.35 159.58 21.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.558 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.92 158.36 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -166.37 162.66 11.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.54 126.91 21.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.4 p -65.15 -19.82 66.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.451 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -25.01 67.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.312 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.58 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.8 m-85 -72.11 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.715 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.58 ' O ' ' O ' ' A' ' 52' ' ' PHE . 27.1 m -16.86 145.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -125.12 128.04 47.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.409 . . . . 0.0 111.572 179.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.96 136.49 48.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.593 0.235 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -152.34 143.87 23.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.892 0.377 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.8 m -148.45 162.81 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -127.18 125.75 41.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.078 0.466 . . . . 0.0 111.175 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.67 143.91 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.523 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 1.3 pp -98.57 -26.4 14.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.408 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -114.75 178.87 4.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.881 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.43 148.77 22.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -126.07 143.53 51.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 mt -125.34 106.93 27.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.61 167.75 23.67 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.542 2.162 . . . . 0.0 112.37 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.59 26.07 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -160.98 163.03 32.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.03 -20.44 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.26 32.14 2.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.083 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -143.94 126.49 15.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.91 152.51 19.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -85.94 107.26 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.45 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 2.5 mt -81.87 101.28 10.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 147.3 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 t -62.74 128.84 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.1 -5.87 81.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.929 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.44 144.5 26.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.4 mt -113.87 143.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.987 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.17 139.1 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.82 121.41 38.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mp -74.45 130.33 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -92.83 -45.97 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -162.82 129.67 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.31 148.78 29.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.69 -58.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -166.17 178.95 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.81 74.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.51 -66.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -103.86 136.8 42.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -123.26 161.62 24.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -110.01 155.3 22.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.71 157.67 28.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.573 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.71 141.61 34.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.72 -51.86 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -154.53 -73.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.31 -18.55 11.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.246 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.57 146.61 24.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.868 0.366 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.19 123.11 25.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.01 167.46 27.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.543 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mp -121.7 158.82 27.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' CE2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.34 167.15 8.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.94 122.11 11.16 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.54 2.16 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.6 t -64.72 -19.69 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.236 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.19 -28.04 69.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' O ' ' A' ' 53' ' ' VAL . 4.4 m-85 -71.96 -87.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.74 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.577 ' O ' ' O ' ' A' ' 52' ' ' PHE . 15.3 m -16.65 145.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -120.83 123.09 41.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.393 . . . . 0.0 111.536 179.351 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.01 134.42 56.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.9 ttm105 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -134.89 153.88 51.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -148.09 147.77 29.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -117.54 126.76 53.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.993 0.425 . . . . 0.0 111.031 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.3 t -61.09 143.87 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.326 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 pp -93.78 -24.07 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.677 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.42 178.9 4.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.888 0.375 . . . . 0.0 111.098 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -100.67 157.36 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 44.7 t80 -148.74 144.14 26.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.6 mm -119.47 107.03 41.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.01 -167.8 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.441 2.094 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -168.36 -43.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -84.93 160.99 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.05 -29.13 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.15 44.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -143.87 126.15 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tp -101.6 163.74 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -90.5 107.34 19.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.445 HD21 ' CD2' ' A' ' 48' ' ' PHE . 5.1 mt -83.91 79.57 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 142.39 36.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.2 t -64.59 128.73 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.43 -5.89 80.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.911 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.12 130.36 35.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.834 0.317 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.437 HG12 ' HB3' ' A' ' 5' ' ' LYS . 7.3 mt -95.95 130.27 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mp -127.45 119.8 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.743 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -74.13 119.3 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.183 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.0 pt -86.95 125.12 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.72 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -104.86 -46.05 4.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.446 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -124.67 148.13 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 111.201 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.61 107.03 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.639 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.56 -50.83 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.083 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.62 -172.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -82.94 58.07 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.88 -47.44 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.351 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -126.55 123.38 37.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 110.755 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 27.6 m0 -113.06 158.44 20.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.87 144.51 42.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.814 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -154.12 179.07 30.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.609 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -134.85 140.4 45.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.82 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -78.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -116.5 -17.51 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.493 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -178.38 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.748 0.309 . . . . 0.0 111.21 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -86.48 138.26 31.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.97 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mp -103.41 147.02 27.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.56 176.1 27.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.349 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.18 148.66 51.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.445 ' CD2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.64 167.9 7.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.424 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 39.8 Cg_exo -57.69 121.01 9.29 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.474 2.116 . . . . 0.0 112.238 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.423 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 21.0 p -65.13 -19.88 66.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.328 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -62.29 -21.4 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.343 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' O ' ' O ' ' A' ' 53' ' ' VAL . 5.9 m-85 -77.33 -78.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.568 ' O ' ' O ' ' A' ' 52' ' ' PHE . 5.8 m -16.32 144.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -134.43 117.87 16.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.334 179.177 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.03 136.62 56.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -140.38 144.21 36.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.03 148.51 30.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 2.8 ttpt -117.16 125.55 51.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.516 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.68 143.8 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.514 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.447 ' CD1' ' CD2' ' A' ' 8' ' ' PHE . 3.6 pp -96.47 -25.1 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.95 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.447 ' CD2' ' CD1' ' A' ' 7' ' ' LEU . 1.3 m-85 -114.75 178.93 4.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.793 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -104.91 155.34 19.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -134.38 143.39 47.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.33 106.95 41.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -78.05 164.16 27.49 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.528 2.152 . . . . 0.0 112.38 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.91 33.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -151.17 173.36 14.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.74 -31.26 71.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.14 56.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -143.3 121.52 12.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -99.56 163.66 12.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -105.92 107.28 18.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 5.3 mt -91.34 118.69 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -97.76 138.67 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.4 t -63.69 128.85 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.97 -5.76 76.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.903 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -98.27 154.12 18.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.8 mt -106.84 142.87 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mp -130.28 132.29 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.27 124.98 33.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.47 129.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -96.43 -39.76 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.37 131.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' OE2' ' CZ2' ' A' ' 37' ' ' TRP . 5.3 tt0 -75.9 117.01 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.24 -66.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -162.52 -177.37 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.73 76.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.82 -43.22 0.55 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -109.93 132.75 53.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.409 ' CD1' ' OG ' ' A' ' 50' ' ' SER . 4.6 m0 -120.29 161.59 20.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.7 t -110.41 157.46 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.47 141.91 8.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.6 m -111.62 137.01 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.1 119.52 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 62.4 41.55 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 61.96 32.51 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.61 127.45 43.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.12 146.19 30.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.47 -173.18 29.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.4 148.79 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.431 ' CE2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -165.32 157.71 13.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.73 137.15 78.43 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.641 2.227 . . . . 0.0 112.424 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.409 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -65.29 -19.46 65.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.312 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -62.12 -17.78 58.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.397 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.581 ' O ' ' O ' ' A' ' 53' ' ' VAL . 14.3 m-85 -82.53 -93.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.642 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.581 ' O ' ' O ' ' A' ' 52' ' ' PHE . 6.9 m -16.81 144.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -133.44 116.52 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.959 0.409 . . . . 0.0 111.469 179.176 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.66 136.52 49.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.976 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -135.94 144.42 45.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 m -146.96 142.86 27.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.7 ttpp -117.14 126.25 52.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 0.0 111.304 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.66 143.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.294 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.65 -23.32 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.368 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.21 178.94 4.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.889 0.376 . . . . 0.0 111.173 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -107.36 142.54 37.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -130.26 144.08 51.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 tt -117.7 111.95 39.14 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.99 172.68 14.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.361 2.04 . . . . 0.0 112.249 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -152.88 26.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -161.0 162.73 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -62.85 -28.71 70.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -97.92 31.12 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -130.83 125.51 33.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.773 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -97.82 161.69 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -102.33 107.24 18.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 48' ' ' PHE . 1.9 mt -79.68 86.03 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.624 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.24 127.3 31.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 p -59.32 132.7 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.27 -5.82 82.7 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.754 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -93.53 141.63 28.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 25' ' ' ILE . 25.6 mm -95.95 124.24 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.33 138.0 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.008 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.2 119.66 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -86.57 129.02 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.995 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -110.92 -46.0 3.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.05 145.83 38.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -100.49 113.74 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.14 -67.42 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -172.17 -178.08 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.61 75.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.27 -28.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.535 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -135.33 139.9 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -124.91 156.0 38.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.04 135.36 54.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -155.99 -172.32 23.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -149.94 135.35 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 6.8 mp -100.56 -74.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -132.2 81.7 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.7 t30 60.61 24.07 13.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.026 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -127.67 115.6 18.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.28 143.96 32.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.72 -160.71 17.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.32 154.45 50.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -166.44 166.29 9.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.7 121.05 9.22 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.606 2.204 . . . . 0.0 112.218 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.2 p -61.7 -20.77 63.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -62.47 -30.26 71.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' O ' ' O ' ' A' ' 53' ' ' VAL . 2.8 m-85 -65.42 -90.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.72 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.569 ' O ' ' O ' ' A' ' 52' ' ' PHE . 31.3 m -16.9 145.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' LYS . 1.1 ttpt -130.08 116.68 18.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.398 . . . . 0.0 111.635 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 136.3 37.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -146.98 144.28 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.2 m -145.95 141.56 27.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.654 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -117.04 126.25 52.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 111.481 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.44 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 6.0 t -66.28 144.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.143 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -91.25 -30.61 16.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.979 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -114.69 178.96 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.161 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.05 157.47 17.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.465 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 56.5 t80 -134.04 144.09 48.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.7 mm -104.4 106.86 55.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.18 166.63 27.41 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.443 2.096 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.2 36.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -140.59 165.36 27.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -30.56 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.91 64.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -140.57 123.89 16.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.0 tp -97.94 154.97 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.05 107.27 19.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 48' ' ' PHE . 24.5 mt -87.74 87.72 7.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 158.36 27.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.86 128.78 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.25 -5.73 83.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.877 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -79.98 133.27 36.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.0 111.099 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.416 HG23 HD13 ' A' ' 25' ' ' ILE . 20.4 mm -96.13 124.14 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.4 mm -129.39 130.37 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.279 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.75 126.52 41.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.78 136.05 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -109.42 -30.33 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -161.08 129.65 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -93.33 118.39 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.2 -72.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.172 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -137.9 -69.24 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -169.47 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.15 -27.46 52.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.368 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.42 ' CZ3' ' HG3' ' A' ' 49' ' ' PRO . 72.6 m95 -119.06 115.92 25.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.664 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.435 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 16.6 m0 -113.38 161.8 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 m -109.85 157.5 19.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -151.16 166.04 30.44 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.4 m -163.5 101.59 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.53 -68.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -140.63 -62.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -131.93 31.08 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -127.44 116.29 20.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mp -117.42 129.85 56.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.85 167.42 39.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.29 152.26 30.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -162.35 165.61 15.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HG3' ' CZ3' ' A' ' 36' ' ' TRP . 37.3 Cg_exo -57.76 126.58 22.2 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.616 2.211 . . . . 0.0 112.507 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.435 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 17.4 t -61.89 -19.77 63.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.197 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -62.05 -25.14 67.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.173 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' O ' ' A' ' 53' ' ' VAL . 24.8 m-85 -70.57 -91.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.612 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.574 ' O ' ' O ' ' A' ' 52' ' ' PHE . 5.6 m -16.79 145.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -137.24 116.47 12.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 111.715 179.314 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 135.96 57.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.773 0.32 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -137.75 151.46 48.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 m -145.66 147.22 31.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.471 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -119.88 126.75 51.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.039 0.447 . . . . 0.0 111.456 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 3.5 t -61.6 143.75 14.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.19 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' CD1' ' CD2' ' A' ' 8' ' ' PHE . 3.6 pp -93.47 -23.1 18.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.043 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.452 ' CD2' ' CD1' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -114.85 179.04 4.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.928 0.394 . . . . 0.0 111.021 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -99.26 171.0 8.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.414 ' CD2' HD22 ' A' ' 20' ' ' LEU . 62.4 t80 -155.01 144.18 21.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.05 107.87 51.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.58 151.43 82.86 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.411 2.074 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.71 28.11 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.93 164.01 31.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.03 -30.16 70.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.08 31.76 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.5 127.47 47.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.4 tp -97.91 158.89 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.724 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -98.3 107.11 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.055 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 2.8 mm? -73.97 105.05 5.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.4 129.96 39.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.799 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -53.44 128.64 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.97 -5.84 84.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.718 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -90.45 133.01 35.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.786 0.327 . . . . 0.0 110.933 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -95.87 140.61 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.42 139.52 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.73 119.69 33.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.56 136.06 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -94.79 -46.11 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.46 163.25 14.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -80.55 108.88 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.76 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.4 m -63.0 -46.65 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.495 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -150.54 -175.85 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.053 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -87.69 53.21 2.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.42 -36.61 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.026 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -106.62 150.45 26.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.718 0.294 . . . . 0.0 110.447 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.4 ' CG ' ' OG ' ' A' ' 50' ' ' SER . 5.3 m0 -122.63 161.72 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 111.089 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.82 157.53 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.64 162.67 29.15 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.643 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.96 131.25 30.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.727 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.06 95.37 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.105 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 63.03 66.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.216 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t30 56.5 31.7 19.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.292 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -114.55 132.42 56.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.757 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.5 133.67 55.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.97 167.66 38.12 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.375 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.1 148.47 49.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.6 166.01 9.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.89 122.65 11.29 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.646 2.23 . . . . 0.0 112.347 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.4 ' OG ' ' CG ' ' A' ' 37' ' ' TRP . 12.0 t -65.26 -19.86 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.313 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.26 -20.71 64.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.413 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.566 ' O ' ' O ' ' A' ' 53' ' ' VAL . 6.0 m-85 -78.07 -84.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.982 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.566 ' O ' ' O ' ' A' ' 52' ' ' PHE . 31.5 m -16.43 145.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -123.13 131.75 53.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.438 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.18 135.73 33.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.809 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.79 0.329 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 61.88 149.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -145.73 144.05 30.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 m -148.14 142.12 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' LYS . 4.1 ttpt -119.58 126.23 50.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.05 0.452 . . . . 0.0 111.198 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.54 144.06 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.22 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -91.73 -26.72 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.406 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.414 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -127.27 178.97 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 111.071 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -94.59 153.84 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' CD2' HD11 ' A' ' 20' ' ' LEU . 18.7 t80 -126.91 144.12 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -118.4 106.84 44.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.74 153.14 29.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.51 2.14 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.23 -34.92 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -103.89 163.39 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -30.85 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -70.29 -13.43 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.306 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -99.07 134.28 42.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.879 0.371 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.33 163.67 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -98.47 107.26 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 4.7 mt -81.68 111.44 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.33 137.95 32.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -67.03 128.67 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.11 -5.83 84.07 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.864 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.29 140.57 30.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.961 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.3 mm -95.85 127.25 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.5 mt -124.32 127.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.1 119.61 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.7 pt -86.55 133.06 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -104.05 -45.79 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -162.73 142.47 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 107.79 19.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.2 t -60.07 -41.01 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -144.97 172.85 12.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -29.97 68.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.15 -36.54 3.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -100.9 121.52 41.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -116.68 161.48 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.9 m -111.79 157.39 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.31 176.22 40.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 m -143.61 115.8 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.08 -76.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -115.68 -73.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.6 26.0 2.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -127.69 147.2 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.01 141.68 51.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.37 -172.95 35.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.5 158.57 39.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.452 ' CE2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.46 160.81 12.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.04 127.75 26.22 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.632 2.221 . . . . 0.0 112.409 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.13 -19.5 66.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.339 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -62.01 -24.82 67.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.355 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' O ' ' A' ' 53' ' ' VAL . 17.6 m-85 -76.76 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.677 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.577 ' O ' ' O ' ' A' ' 52' ' ' PHE . 15.5 m -16.72 145.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -123.52 116.68 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.905 0.383 . . . . 0.0 111.471 179.407 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -64.16 136.55 57.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.033 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -100.77 -72.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 60.13 110.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 mt -138.76 147.59 42.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -77.06 -55.49 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.913 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.781 0.324 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -147.75 148.92 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -151.18 149.71 29.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.8 m -148.17 149.5 32.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.537 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -117.03 126.2 52.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.146 0.498 . . . . 0.0 111.202 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.426 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 3.2 t -64.33 143.7 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.506 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.447 HD12 ' HB2' ' A' ' 8' ' ' PHE . 4.4 pp -95.22 -21.16 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.819 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.447 ' HB2' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -114.61 178.91 4.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.752 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -100.21 168.21 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -155.04 144.22 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 tp -117.18 118.77 35.54 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.94 127.66 13.94 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.384 2.056 . . . . 0.0 112.334 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -39.08 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -89.83 167.43 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -37.13 83.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.23 48.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -140.41 126.38 19.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 163.69 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -93.99 107.27 19.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 48' ' ' PHE . 7.3 mt -88.56 91.57 8.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -79.31 140.24 37.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.749 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.28 128.82 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.2 -5.8 65.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -93.56 126.64 38.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.8 0.333 . . . . 0.0 110.992 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.6 tt -98.01 127.64 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.4 ' CD1' ' CD2' ' A' ' 20' ' ' LEU . 20.3 mt -120.73 138.57 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.22 119.58 24.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.8 pt -80.86 134.6 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.41 -46.16 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.38 164.78 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.132 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.88 147.99 23.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -98.6 -62.54 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.14 -174.39 4.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -84.67 59.78 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.64 -41.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.528 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -127.0 132.7 50.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.424 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 10.7 m0 -113.08 161.66 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m -110.0 157.46 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.37 172.37 31.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -142.33 144.58 33.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.07 113.49 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.972 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.41 -83.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -145.55 16.57 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.237 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.85 128.5 45.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.774 0.321 . . . . 0.0 110.858 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -121.78 137.77 54.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.17 165.58 27.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.381 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.54 148.63 31.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.451 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.48 167.21 8.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.433 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 33.0 Cg_exo -57.83 120.86 9.04 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.557 2.171 . . . . 0.0 112.373 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.424 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 13.7 p -65.31 -19.91 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.269 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -62.32 -22.7 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.281 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' ' O ' ' A' ' 53' ' ' VAL . 5.6 m-85 -76.64 -86.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 52' ' ' PHE . 9.4 m -16.59 145.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 3.7 tttt -127.02 125.68 41.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.981 0.42 . . . . 0.0 111.561 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.83 136.63 38.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.938 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.41 97.82 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -95.87 169.52 9.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.4 mt -59.73 154.43 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.44 -44.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.1 m80 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.891 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 mtp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.843 0.354 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -87.93 114.66 24.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -130.56 151.81 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.4 m -148.01 148.35 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -128.25 126.99 41.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.051 0.453 . . . . 0.0 111.187 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 4.4 t -61.51 143.75 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 8' ' ' PHE . 3.6 pp -96.35 -21.17 17.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.423 ' HB2' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -114.59 179.0 4.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 111.005 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -104.58 149.64 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -138.36 134.27 34.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.34 106.84 53.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.84 128.36 8.43 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -95.93 -30.35 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -100.88 154.93 18.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.32 -33.73 76.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -65.37 -18.06 65.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.257 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.02 141.57 31.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.852 0.358 . . . . 0.0 111.007 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.1 158.64 16.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -89.21 109.13 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD22 ' CG ' ' A' ' 48' ' ' PHE . 3.1 mp -90.51 110.07 21.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -99.26 163.28 12.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -68.09 128.82 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' HA2' ' HE2' ' A' ' 5' ' ' LYS . . . 90.48 -5.89 82.42 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.881 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -79.5 132.73 36.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.002 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.8 tt -113.26 124.17 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -114.95 125.92 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.15 119.52 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.442 HD12 HG23 ' A' ' 28' ' ' ILE . 34.0 pt -86.56 136.16 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.184 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.27 -45.94 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.77 164.74 26.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.418 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 6.2 mt-10 -95.11 152.59 18.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 t -89.03 -66.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.91 -72.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -173.88 35.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.19 -51.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.333 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -101.38 131.15 47.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 110.61 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.424 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 6.3 m0 -111.96 159.74 18.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.025 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -110.06 135.72 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -147.1 177.63 25.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.542 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 m -132.58 127.31 34.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.38 30.44 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.8 t30 57.99 21.82 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 176.46 -43.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.727 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.42 145.29 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.22 123.32 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.1 160.0 31.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.584 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 pp -107.54 161.89 14.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.456 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -166.49 167.74 7.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.048 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.86 124.6 16.37 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.64 2.227 . . . . 0.0 112.393 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.424 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 10.8 t -65.14 -19.68 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.251 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -25.62 67.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.168 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.556 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-85 -76.67 -85.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.727 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.556 ' O ' ' O ' ' A' ' 52' ' ' PHE . 27.2 m -16.54 145.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 10.0 tttt -122.8 120.15 32.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.313 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.86 136.58 57.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.65 104.55 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.99 95.36 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mp -140.45 127.54 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.26 117.13 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.839 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mtt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.89 0.376 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 59.76 79.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -141.05 151.0 43.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -146.03 140.63 26.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -117.28 126.17 52.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.199 0.523 . . . . 0.0 111.409 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -64.64 144.01 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.25 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' HG ' ' CB ' ' A' ' 54' ' ' LYS . 3.3 mt -97.27 -21.35 17.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.025 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -114.63 178.9 4.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.864 0.364 . . . . 0.0 111.018 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.78 161.45 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 60.6 t80 -149.84 144.06 25.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.43 106.84 59.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.167 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -79.94 -44.97 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.473 2.116 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 54.65 29.69 11.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.057 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.87 152.87 19.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.05 -31.59 72.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.15 -35.89 74.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -99.54 134.59 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tp -97.91 149.81 22.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -83.03 107.28 15.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD12 ' CG ' ' A' ' 48' ' ' PHE . 40.7 mt -87.41 84.04 7.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.769 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -79.29 143.96 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.22 134.69 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.22 -5.83 75.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.765 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.48 130.83 44.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.795 0.331 . . . . 0.0 111.0 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.2 tt -106.43 125.47 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mp -118.75 139.47 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -93.37 126.18 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.422 HG12 ' CE3' ' A' ' 37' ' ' TRP . 1.9 mp -68.8 136.14 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -105.41 -36.22 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.37 129.66 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -77.33 122.82 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.3 t -70.64 -62.73 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -136.88 -159.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.688 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -92.34 30.63 1.44 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.869 0.366 . . . . 0.0 110.987 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.41 -43.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.208 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -95.64 131.28 42.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.791 0.329 . . . . 0.0 110.699 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CE3' HG12 ' A' ' 28' ' ' ILE . 8.8 m0 -114.43 161.78 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.057 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 t -109.86 157.53 19.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.59 151.99 23.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.0 m -136.79 111.76 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.37 87.24 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.46 -73.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -144.17 31.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 112.72 19.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.63 144.99 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 179.83 163.17 30.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.7 mt -123.97 148.79 46.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CG ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -162.59 165.6 15.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.94 124.23 15.51 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.555 2.17 . . . . 0.0 112.34 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.411 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 16.9 t -64.01 -19.89 65.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.39 -28.69 69.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' O ' ' O ' ' A' ' 53' ' ' VAL . 16.7 m-85 -66.86 -88.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.712 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.571 ' O ' ' O ' ' A' ' 52' ' ' PHE . 15.5 m -16.73 145.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 6.7 tptt -135.24 117.5 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.075 0.464 . . . . 0.0 111.748 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.13 136.57 39.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.035 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.16 96.27 10.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.43 179.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.6 mt -101.1 -178.73 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -89.67 126.78 35.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.826 0.346 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.07 101.39 13.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -128.04 157.37 40.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 14.5 m -145.77 141.16 27.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -117.23 126.06 52.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.262 0.553 . . . . 0.0 111.432 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 18.2 t -62.52 143.94 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.458 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' A' ' 54' ' ' LYS . 6.2 mt -94.38 -32.84 13.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.51 178.85 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.963 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.73 165.38 11.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 33.4 t80 -143.15 143.62 31.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mm -111.23 106.75 57.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.67 157.79 28.24 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.473 2.116 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.5 23.29 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.87 153.69 21.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.779 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -29.91 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.01 -14.75 61.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.336 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.93 134.33 41.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.854 0.359 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 0.3 OUTLIER -97.89 161.16 13.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.72 107.17 19.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 3.1 mm? -73.04 99.79 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.759 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.28 127.97 32.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.31 128.74 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.074 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.67 83.12 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.938 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.54 132.99 44.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.921 0.391 . . . . 0.0 111.036 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 tt -97.95 141.07 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mp -123.82 136.63 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.09 119.47 22.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.8 pt -86.76 123.02 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -90.95 -46.08 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -167.39 164.68 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.124 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.422 ' HG3' ' CD1' ' A' ' 37' ' ' TRP . 33.8 tt0 -92.33 128.18 38.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.2 p -74.59 -44.37 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.01 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.98 174.21 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.98 115.62 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.0 -25.88 13.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.628 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -128.14 154.1 46.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.968 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CD1' ' HG3' ' A' ' 31' ' ' GLU . 2.5 m95 -141.27 161.49 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -110.05 150.57 28.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.61 167.51 29.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -155.25 128.81 8.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.32 -49.46 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -178.46 -49.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -119.55 -31.15 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -91.8 141.58 28.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.998 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 tp -133.18 141.64 48.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.791 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.6 -175.46 40.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.561 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -129.6 155.76 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.462 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.38 167.73 8.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.85 121.43 10.0 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.554 2.17 . . . . 0.0 112.338 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.407 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 10.0 t -61.13 -19.87 62.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -62.3 -27.11 68.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.116 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' O ' ' O ' ' A' ' 53' ' ' VAL . 9.0 m-85 -70.03 -89.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.799 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.578 ' O ' ' O ' ' A' ' 52' ' ' PHE . 15.7 m -16.64 145.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 113.034 0.754 . . . . 0.0 113.034 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 2.3 tptm -140.98 116.95 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 0.0 112.153 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 7.4 tt0 -68.1 133.13 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.876 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.8 mt -61.76 179.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -154.46 123.55 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.12 -173.06 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.99 -31.19 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.803 0.335 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.41 36.68 20.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -130.37 165.04 23.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.1 m -147.36 153.0 39.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.587 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -124.94 126.8 46.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.061 0.458 . . . . 0.0 111.327 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.408 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 5.4 t -61.45 143.91 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.451 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.419 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 1.6 pp -92.73 -24.49 18.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.306 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.408 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -114.83 178.97 4.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.923 0.392 . . . . 0.0 111.137 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.77 164.36 13.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -151.05 141.55 22.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.87 116.13 38.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.03 149.11 28.39 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.448 2.099 . . . . 0.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -103.78 -33.91 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -133.14 174.33 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.99 -32.22 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.8 -30.39 70.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -99.07 138.02 36.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.16 157.13 18.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -90.7 107.21 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' CD1' ' CD2' ' A' ' 48' ' ' PHE . 37.9 mt -88.39 122.74 32.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.013 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -97.14 152.34 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.656 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.4 m -65.73 128.48 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.97 -5.7 84.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.989 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.02 132.64 34.01 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 111.169 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -102.19 140.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -131.99 127.75 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.164 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.74 119.66 22.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.407 HG12 ' CE3' ' A' ' 37' ' ' TRP . 2.3 mp -69.2 136.19 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.57 -38.84 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.37 133.15 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -76.57 142.33 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.48 -50.82 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -176.69 176.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.58 66.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.87 -41.12 0.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -120.97 135.01 55.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 0.8 OUTLIER -124.77 159.55 30.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.06 157.47 19.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.75 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.07 151.72 22.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.621 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -123.47 131.67 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.723 0.296 . . . . 0.0 110.737 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.2 82.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.197 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 56.48 85.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.249 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.5 m120 52.61 27.73 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.229 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.15 124.49 41.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.97 145.48 29.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.78 161.04 34.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.425 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mt -134.2 148.62 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.453 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.5 164.5 10.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.44 130.34 28.08 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.607 2.205 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.418 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 63.6 p -65.1 -19.82 66.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.23 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -62.29 -28.15 69.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.097 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.3 m-85 -77.38 -82.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.784 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.557 ' O ' ' O ' ' A' ' 52' ' ' PHE . 6.9 m -16.51 145.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -123.69 118.34 27.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.281 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -87.27 136.54 32.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.967 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -121.77 91.33 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -147.48 36.53 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.15 140.09 19.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -122.45 163.92 18.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.924 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.66 118.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -149.02 153.71 38.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 55.8 m -141.61 161.69 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 7.2 ttpt -123.71 126.27 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.421 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.0 t -62.9 143.94 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.35 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 1.1 pp -91.92 -22.71 19.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.302 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.4 ' HB2' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -119.47 178.98 4.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.875 0.369 . . . . 0.0 111.094 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.76 142.22 27.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.769 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -124.4 143.96 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.002 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.63 123.11 25.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.37 157.01 25.68 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.427 2.085 . . . . 0.0 112.47 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -136.68 -47.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -83.96 171.51 12.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -66.43 -31.34 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -96.65 41.85 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -130.48 123.49 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.99 152.28 19.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.784 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -86.0 107.28 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -101.92 93.81 5.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -79.34 153.24 29.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.8 128.78 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 -5.81 63.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.829 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.62 134.3 34.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.2 mt -99.82 139.96 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mp -133.23 126.63 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.71 121.83 27.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.6 136.17 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.019 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.8 -46.01 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -167.35 164.57 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.0 152.44 29.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.78 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -119.23 -65.62 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.305 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -120.68 161.56 21.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.008 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.79 112.62 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.0 19.93 60.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.424 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -147.13 120.83 9.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.792 0.33 . . . . 0.0 110.638 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -111.91 160.78 17.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.043 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.07 157.44 19.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -159.74 172.71 36.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.545 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.1 m -135.15 154.62 51.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -124.45 -74.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -141.0 -58.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -139.83 19.71 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -127.77 133.94 49.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.765 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tp -132.87 137.19 46.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.65 177.08 47.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.7 mt -112.62 148.75 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.456 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -156.27 164.21 22.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.802 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.58 121.06 9.25 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.595 2.197 . . . . 0.0 112.37 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -19.67 65.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.216 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.11 -26.32 68.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.172 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' O ' ' O ' ' A' ' 53' ' ' VAL . 7.3 m-85 -71.76 -86.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.746 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.571 ' O ' ' O ' ' A' ' 52' ' ' PHE . 19.1 m -16.66 145.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -123.87 126.33 46.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.36 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.12 136.6 50.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.043 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.94 -174.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.38 -36.41 60.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 mp 58.3 -178.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -140.48 147.62 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.919 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.94 128.38 36.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -148.72 144.45 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.0 m -147.76 143.03 27.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.637 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 1.4 tmmm? -121.38 126.47 49.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.165 0.507 . . . . 0.0 111.326 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 3.3 t -63.51 143.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.349 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.446 HD11 ' HB2' ' A' ' 8' ' ' PHE . 3.7 pp -95.57 -21.92 17.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.104 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.446 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -116.77 178.98 4.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.829 0.347 . . . . 0.0 110.829 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -107.46 154.03 21.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -137.56 144.25 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.43 107.04 47.71 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -78.66 -167.14 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.574 2.182 . . . . 0.0 112.274 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -158.18 -42.09 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -94.39 166.67 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.351 . . . . 0.0 111.068 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.55 -19.08 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.33 29.46 2.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.785 0.326 . . . . 0.0 111.056 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -143.93 121.51 11.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.746 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.6 tp -97.89 151.52 20.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.62 107.35 18.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 41.3 mt -80.04 110.65 15.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -91.22 142.63 27.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.8 m -63.75 128.78 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.01 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.41 -5.69 83.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.851 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.76 128.31 36.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.829 0.347 . . . . 0.0 111.021 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.3 tt -97.72 124.19 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -110.38 123.12 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -74.19 119.56 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.8 pt -86.6 122.41 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -93.94 -44.84 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -157.6 163.3 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 125.91 37.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.9 m -72.97 -37.27 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -178.12 -178.94 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.54 102.29 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.77 -54.39 0.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -99.39 139.74 34.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.703 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -118.22 161.39 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -117.91 155.6 29.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.08 175.1 34.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.538 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.58 167.32 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.793 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.63 -53.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -166.16 82.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 60.61 21.52 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.68 118.34 23.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.73 146.17 33.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -166.34 169.12 40.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -127.14 153.52 45.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' CE2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.35 164.21 11.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.06 122.8 12.33 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.608 2.205 . . . . 0.0 112.259 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 t -64.37 -20.37 66.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -62.42 -26.82 68.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-85 -72.95 -84.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.788 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.563 ' O ' ' O ' ' A' ' 52' ' ' PHE . 16.6 m -16.56 145.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -125.59 116.67 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.412 179.184 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.8 136.52 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.31 120.36 37.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -101.83 86.06 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 mp -148.99 164.55 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.6 113.84 26.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.926 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 mtm . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.809 0.338 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 60.17 89.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -147.14 147.29 30.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.3 m -148.04 149.74 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -117.08 126.48 52.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 111.226 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -61.84 143.75 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.312 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 pp -96.63 -21.46 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.157 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -118.74 178.96 4.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.849 0.356 . . . . 0.0 111.01 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.36 150.16 27.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.744 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.497 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 44.4 t80 -132.99 144.17 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.018 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 mm -116.98 106.96 46.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.85 155.48 48.6 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.457 2.105 . . . . 0.0 112.425 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -107.55 -31.2 8.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.793 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -118.57 167.59 11.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -30.41 70.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -63.49 -23.86 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -99.02 134.62 41.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.992 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.96 154.78 17.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -92.64 107.58 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' CD2' ' CD2' ' A' ' 48' ' ' PHE . 3.4 mm? -68.7 106.77 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -82.97 124.69 30.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.73 128.86 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.37 -5.76 83.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.26 133.93 38.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.847 0.356 . . . . 0.0 111.136 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.9 tt -96.95 124.18 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.99 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -111.02 137.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.274 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -94.59 119.85 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 mt -78.01 136.21 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -97.21 -46.11 6.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -167.45 148.06 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.17 151.57 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.04 -57.89 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.213 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.76 165.76 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.51 114.56 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.663 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.68 -20.85 47.83 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.45 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -106.55 109.46 21.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.421 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 11.6 m0 -112.03 161.8 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.03 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 t -109.81 157.5 19.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.996 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.52 164.64 30.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.0 m -118.92 136.02 54.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.3 mt -145.93 94.75 2.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m120 67.77 60.85 0.44 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.21 25.73 11.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.357 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -127.73 130.77 49.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mp -104.5 124.29 49.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.63 143.05 14.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.34 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 mp -102.17 148.57 25.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.449 ' CD2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.52 167.53 8.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.874 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.87 121.2 9.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.627 2.218 . . . . 0.0 112.519 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.421 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 89.4 p -65.14 -19.61 66.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.342 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -61.98 -18.57 60.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.398 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' O ' ' A' ' 53' ' ' VAL . 28.5 m-85 -79.82 -87.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.65 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.574 ' O ' ' O ' ' A' ' 52' ' ' PHE . 29.7 m -16.73 145.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -124.89 132.03 53.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.979 0.418 . . . . 0.0 111.473 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -73.43 136.58 44.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.4 -55.65 11.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.52 -174.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt 61.84 122.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -66.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.7 p80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.853 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.834 0.35 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -177.31 87.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -139.25 146.63 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.7 m -144.81 149.29 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.716 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' LYS . 5.3 ttmt -117.16 126.26 52.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.295 0.569 . . . . 0.0 111.536 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 2.8 t -69.14 144.05 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.22 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' CD1' ' HG3' ' A' ' 54' ' ' LYS . 2.5 mt -91.72 -27.63 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.23 178.85 4.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.67 149.21 28.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -127.57 143.72 51.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.7 tt -117.05 120.62 33.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.7 144.38 35.23 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.407 2.072 . . . . 0.0 112.383 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -37.33 4.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.87 166.55 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.5 -28.76 69.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -94.66 43.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -138.6 133.46 32.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 tp -97.95 162.15 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -105.29 107.35 18.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.402 HD23 ' CZ ' ' A' ' 48' ' ' PHE . 22.7 mt -89.43 108.34 19.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 139.43 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -59.32 128.87 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.25 -5.7 84.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.842 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -84.43 143.53 29.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.86 0.362 . . . . 0.0 111.049 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.7 mm -95.98 128.16 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 mp -128.74 128.27 67.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.322 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -96.87 123.78 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.421 HG12 ' CE3' ' A' ' 37' ' ' TRP . 3.8 mp -77.04 125.8 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.69 -31.32 13.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -166.95 133.09 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.09 129.25 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.42 -64.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -167.02 178.47 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 85.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 -49.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.577 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -108.04 129.63 55.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.421 ' CE3' HG12 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -123.6 161.66 24.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.92 157.44 19.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.79 165.89 33.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 m -147.62 139.66 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.85 -32.67 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.13 -70.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -129.31 17.3 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.11 121.78 36.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.36 136.8 54.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.3 -174.91 29.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.406 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.7 mp -127.41 148.77 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.402 ' CZ ' HD23 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -163.66 166.96 11.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.93 121.07 9.38 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.498 2.132 . . . . 0.0 112.309 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.421 ' HB2' ' CG ' ' A' ' 37' ' ' TRP . 21.3 t -63.03 -19.8 64.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.192 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.28 -26.42 68.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.269 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' ' O ' ' A' ' 53' ' ' VAL . 3.8 m-85 -66.89 -90.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.57 ' O ' ' O ' ' A' ' 52' ' ' PHE . 11.3 m -16.75 145.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -137.26 116.35 12.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.01 0.433 . . . . 0.0 111.978 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.93 136.52 57.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.009 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.3 -172.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -119.48 -80.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.97 163.68 30.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -139.71 97.74 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.7 m80 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.925 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.773 0.321 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 60.64 111.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -136.96 153.62 50.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 m -146.6 140.58 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 7.2 ttpt -123.96 125.51 44.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.187 0.518 . . . . 0.0 111.283 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' A' ' 53' ' ' VAL . 9.6 t -62.3 144.09 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.329 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.62 -24.83 19.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.54 179.0 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 111.044 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.43 148.73 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -138.75 144.07 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -125.39 131.29 24.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.75 145.07 15.86 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.543 2.162 . . . . 0.0 112.393 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -128.15 -42.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -83.92 171.29 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.967 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.32 -37.16 84.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.22 58.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -140.5 124.32 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.54 153.55 19.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.47 107.2 17.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -106.23 87.97 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 168.41 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 t -66.51 128.76 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.34 -5.79 71.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.938 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.63 130.14 37.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.809 0.338 . . . . 0.0 111.065 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.8 mm -95.91 128.15 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.37 139.06 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.19 119.63 33.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.7 pt -83.64 135.96 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -108.91 -46.04 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -167.41 151.24 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.47 134.88 39.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.0 t -87.58 -67.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -134.75 170.85 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.6 90.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.36 -22.81 5.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.651 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -116.39 132.09 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 3.1 m0 -120.46 161.56 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.6 m -113.27 154.41 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.27 171.53 39.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 m -133.63 117.04 16.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.92 -62.56 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -133.01 -62.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.779 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -146.37 21.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.76 137.92 52.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.821 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 tt -110.45 111.54 22.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.63 -159.27 10.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.85 148.47 34.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.451 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.5 160.61 12.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.96 124.69 16.55 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.597 2.198 . . . . 0.0 112.311 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.422 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 46.8 t -63.64 -19.74 65.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.212 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.2 -25.68 67.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.583 ' O ' ' O ' ' A' ' 53' ' ' VAL . 6.7 m-85 -74.85 -89.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.704 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.583 ' O ' ' O ' ' A' ' 52' ' ' PHE . 14.6 m -16.75 145.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 1.6 tmtm? -121.59 123.22 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 111.422 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -75.06 136.15 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -173.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.26 117.76 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.24 100.8 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.61 110.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.927 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ptp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -176.85 82.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -129.41 149.82 51.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.9 m -148.12 140.69 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 4.2 ttpt -119.93 126.5 51.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.096 0.474 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 5.4 t -61.77 143.93 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.452 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -95.17 -21.61 18.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.335 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -115.11 178.99 4.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.003 0.43 . . . . 0.0 111.232 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.97 141.17 36.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.786 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -124.57 144.16 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.0 mm -121.36 106.84 37.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.03 -167.42 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.471 2.114 . . . . 0.0 112.255 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -160.18 -45.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -92.25 167.14 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -25.09 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -93.57 43.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.029 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -143.93 131.88 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.414 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 3.2 tt -97.91 163.7 12.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.58 107.28 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 82.0 mt -93.19 87.66 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.01 146.0 25.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.1 m -56.56 128.83 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.81 -5.66 64.13 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.748 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.72 135.7 33.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.859 0.362 . . . . 0.0 111.18 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.9 tt -116.13 124.18 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.0 mt -116.04 138.91 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.198 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.89 119.67 21.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.796 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.423 HG22 ' CE3' ' A' ' 37' ' ' TRP . 43.6 pt -84.62 136.24 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -104.49 -43.21 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -167.41 163.17 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -112.17 133.41 54.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.4 p -73.6 -43.08 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -174.8 -177.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -76.85 74.22 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.97 -43.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.399 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -124.34 148.38 47.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.798 0.333 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.423 ' CE3' HG22 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -126.66 157.44 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -123.34 143.76 49.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.05 -174.31 21.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.563 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -157.74 109.51 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.02 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -128.96 -69.57 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.37 26.65 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -127.7 142.68 51.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.814 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tt -125.02 124.84 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.35 -172.2 12.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mp -137.97 148.73 45.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.464 ' CE2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.44 163.41 11.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.95 126.5 21.86 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.6 2.2 . . . . 0.0 112.288 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.413 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 2.7 p -64.38 -20.02 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -62.45 -29.07 70.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.114 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' ' O ' ' A' ' 53' ' ' VAL . 10.0 m-85 -70.46 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.561 ' O ' ' O ' ' A' ' 52' ' ' PHE . 26.8 m -16.57 145.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -129.0 124.9 36.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.377 . . . . 0.0 111.374 179.067 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.28 136.57 32.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.971 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.49 35.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.06 77.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.3 mt -150.5 175.23 12.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -157.19 -65.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.73 106.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -141.44 148.13 39.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 96.9 m -148.17 144.24 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -120.12 126.56 51.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.055 0.455 . . . . 0.0 111.192 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.411 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 4.5 t -61.61 143.96 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.306 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 2.6 pp -92.52 -22.13 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.277 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.411 ' HB2' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -114.71 178.86 4.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.45 155.62 17.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 60.1 t80 -146.39 144.18 29.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.3 mm -112.73 106.92 55.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.99 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.78 -46.1 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.448 2.099 . . . . 0.0 112.451 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 54.75 27.28 8.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.17 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -160.86 152.29 19.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -32.06 73.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -29.22 62.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -99.02 138.99 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 1.8 tt -97.92 163.58 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.65 107.19 19.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.804 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD13 ' CD2' ' A' ' 48' ' ' PHE . 2.9 mp -93.52 95.22 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -98.75 153.26 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.8 t -57.93 128.81 19.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.92 83.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -86.15 128.22 34.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.998 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.7 tt -108.13 124.13 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 mp -110.29 137.85 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.8 119.54 24.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.6 117.19 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.036 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -91.9 -45.92 8.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.68 164.62 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.415 ' HG2' ' CE2' ' A' ' 37' ' ' TRP . 2.2 mp0 -108.0 121.07 44.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.809 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.1 -41.58 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.28 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 177.68 -178.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -70.76 116.85 11.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.08 -27.24 10.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.406 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -133.25 135.3 44.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.416 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 5.0 m0 -123.22 161.59 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.45 131.53 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.57 -176.6 14.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -163.72 109.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -63.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -143.68 -61.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.8 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.36 22.58 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.022 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -127.75 130.41 48.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.11 117.63 34.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.45 141.05 9.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.53 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.6 mt -102.25 152.09 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' CD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -164.03 167.67 10.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.41 120.97 9.02 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.416 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 72.7 p -65.34 -20.35 66.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.225 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -62.38 -30.17 71.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.1 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.572 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.9 m-85 -67.54 -82.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.572 ' O ' ' O ' ' A' ' 52' ' ' PHE . 9.8 m -16.5 145.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 5.5 tttt -120.8 143.83 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.464 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -84.52 136.6 33.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -104.57 29.23 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -110.92 93.59 4.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -164.21 131.41 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 93.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 59.3 t60 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.919 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 mtp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.782 0.325 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -112.66 94.53 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -129.78 152.91 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -147.9 154.67 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.573 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 1.2 ttpt -117.41 126.32 52.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 t -61.72 143.69 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.426 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.429 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 4.3 pp -95.81 -24.94 16.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.252 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.427 ' HB2' HD13 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -114.77 178.95 4.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.951 0.405 . . . . 0.0 111.125 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -110.1 144.28 38.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -127.53 144.03 51.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.69 106.95 58.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.94 145.01 42.76 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.427 2.085 . . . . 0.0 112.189 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -119.06 -40.34 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -115.33 170.05 8.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.51 -23.48 67.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.14 38.1 1.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -141.68 128.67 20.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -97.88 156.42 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -90.66 107.38 19.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 HD22 ' CG ' ' A' ' 48' ' ' PHE . 0.9 OUTLIER -84.85 84.15 7.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -79.26 142.46 36.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.7 t -65.17 130.45 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.56 -5.75 58.74 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.913 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.61 143.45 30.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.4 mt -102.03 139.45 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.2 mt -125.13 127.75 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -96.52 119.59 35.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.2 136.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -105.62 -43.86 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -150.24 148.14 28.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -83.64 118.61 23.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.9 t -63.22 -69.19 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -149.71 -177.8 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -74.42 64.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.54 -43.13 0.26 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -106.3 135.0 48.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -112.03 161.37 16.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.07 157.42 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.98 163.54 33.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.588 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.1 m -116.65 152.76 33.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.53 56.9 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.2 t30 59.93 89.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 60.85 19.79 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -127.75 108.82 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.01 138.71 38.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.35 159.58 21.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.558 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.92 158.36 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.447 ' CE2' ' HB3' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -166.37 162.66 11.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.54 126.91 21.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.4 p -65.15 -19.82 66.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.451 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -25.01 67.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.312 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.58 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.8 m-85 -72.11 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.715 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.58 ' O ' ' O ' ' A' ' 52' ' ' PHE . 27.1 m -16.86 145.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -125.12 128.04 47.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.409 . . . . 0.0 111.572 179.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.96 136.49 48.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 pp -82.31 153.4 25.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -95.18 164.05 13.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.18 113.07 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -113.81 -68.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.741 0.305 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.84 14.78 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.269 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -152.34 143.87 23.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.892 0.377 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.8 m -148.45 162.81 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -127.18 125.75 41.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.078 0.466 . . . . 0.0 111.175 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.67 143.91 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.523 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 1.3 pp -98.57 -26.4 14.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.408 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -114.75 178.87 4.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.881 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.43 148.77 22.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -126.07 143.53 51.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 mt -125.34 106.93 27.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.61 167.75 23.67 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.542 2.162 . . . . 0.0 112.37 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.59 26.07 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -160.98 163.03 32.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.03 -20.44 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.26 32.14 2.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.083 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -143.94 126.49 15.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.91 152.51 19.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -85.94 107.26 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.45 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 2.5 mt -81.87 101.28 10.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 147.3 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 t -62.74 128.84 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.1 -5.87 81.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.929 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.44 144.5 26.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.4 mt -113.87 143.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.987 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.17 139.1 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.82 121.41 38.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.6 mp -74.45 130.33 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -92.83 -45.97 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -162.82 129.67 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.31 148.78 29.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.69 -58.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -166.17 178.95 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.81 74.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.51 -66.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -103.86 136.8 42.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -123.26 161.62 24.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -110.01 155.3 22.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.71 157.67 28.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.573 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.71 141.61 34.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.72 -51.86 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -154.53 -73.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.31 -18.55 11.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.246 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.57 146.61 24.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.868 0.366 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.19 123.11 25.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.01 167.46 27.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.543 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mp -121.7 158.82 27.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' CE2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.34 167.15 8.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.94 122.11 11.16 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.54 2.16 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.6 t -64.72 -19.69 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.236 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.19 -28.04 69.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' O ' ' A' ' 53' ' ' VAL . 4.4 m-85 -71.96 -87.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.74 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.577 ' O ' ' O ' ' A' ' 52' ' ' PHE . 15.3 m -16.65 145.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.503 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -120.83 123.09 41.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.393 . . . . 0.0 111.536 179.351 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.01 134.42 56.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 pp -103.19 117.66 35.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -111.33 -32.55 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.46 133.24 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.77 41.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.6 m80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.903 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.798 0.332 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.9 ttm105 -169.36 116.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -134.89 153.88 51.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -148.09 147.77 29.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -117.54 126.76 53.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.993 0.425 . . . . 0.0 111.031 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.3 t -61.09 143.87 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.326 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 pp -93.78 -24.07 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.677 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -114.42 178.9 4.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.888 0.375 . . . . 0.0 111.098 -179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -100.67 157.36 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 44.7 t80 -148.74 144.14 26.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.6 mm -119.47 107.03 41.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.01 -167.8 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.441 2.094 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -168.36 -43.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -84.93 160.99 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.05 -29.13 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.15 44.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -143.87 126.15 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.0 tp -101.6 163.74 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -90.5 107.34 19.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.445 HD21 ' CD2' ' A' ' 48' ' ' PHE . 5.1 mt -83.91 79.57 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 142.39 36.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.2 t -64.59 128.73 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.43 -5.89 80.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.911 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.12 130.36 35.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.834 0.317 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.437 HG12 ' HB3' ' A' ' 5' ' ' LYS . 7.3 mt -95.95 130.27 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mp -127.45 119.8 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.743 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -74.13 119.3 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.183 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.0 pt -86.95 125.12 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.72 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -104.86 -46.05 4.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.446 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -124.67 148.13 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 111.201 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.61 107.03 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.639 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.56 -50.83 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.083 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.62 -172.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -82.94 58.07 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.88 -47.44 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.351 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -126.55 123.38 37.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 110.755 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.423 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 27.6 m0 -113.06 158.44 20.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.87 144.51 42.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.814 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -154.12 179.07 30.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.609 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -134.85 140.4 45.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.82 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -78.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -116.5 -17.51 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.493 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -178.38 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.748 0.309 . . . . 0.0 111.21 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -86.48 138.26 31.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.97 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mp -103.41 147.02 27.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.56 176.1 27.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.349 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.18 148.66 51.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.445 ' CD2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.64 167.9 7.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.424 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 39.8 Cg_exo -57.69 121.01 9.29 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.474 2.116 . . . . 0.0 112.238 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.423 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 21.0 p -65.13 -19.88 66.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.328 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -62.29 -21.4 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.343 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' O ' ' O ' ' A' ' 53' ' ' VAL . 5.9 m-85 -77.33 -78.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.568 ' O ' ' O ' ' A' ' 52' ' ' PHE . 5.8 m -16.32 144.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.44 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -134.43 117.87 16.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.334 179.177 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.03 136.62 56.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.77 179.99 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -145.33 124.82 13.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.59 30.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -141.1 141.04 34.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.878 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.794 0.331 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.41 136.0 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -140.38 144.21 36.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.03 148.51 30.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 2.8 ttpt -117.16 125.55 51.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.516 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 t -66.68 143.8 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.514 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.447 ' CD1' ' CD2' ' A' ' 8' ' ' PHE . 3.6 pp -96.47 -25.1 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.95 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.447 ' CD2' ' CD1' ' A' ' 7' ' ' LEU . 1.3 m-85 -114.75 178.93 4.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.793 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -104.91 155.34 19.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -134.38 143.39 47.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.33 106.95 41.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.249 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -78.05 164.16 27.49 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.528 2.152 . . . . 0.0 112.38 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.91 33.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -151.17 173.36 14.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.74 -31.26 71.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.14 56.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -143.3 121.52 12.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 tp -99.56 163.66 12.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -105.92 107.28 18.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' CD2' ' CE2' ' A' ' 48' ' ' PHE . 5.3 mt -91.34 118.69 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -97.76 138.67 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.4 t -63.69 128.85 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.989 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.97 -5.76 76.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.903 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -98.27 154.12 18.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.8 mt -106.84 142.87 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mp -130.28 132.29 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.27 124.98 33.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.47 129.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -96.43 -39.76 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.37 131.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' OE2' ' CZ2' ' A' ' 37' ' ' TRP . 5.3 tt0 -75.9 117.01 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.24 -66.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -162.52 -177.37 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.73 76.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.82 -43.22 0.55 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -109.93 132.75 53.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.409 ' CD1' ' OG ' ' A' ' 50' ' ' SER . 4.6 m0 -120.29 161.59 20.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.7 t -110.41 157.46 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.47 141.91 8.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.6 m -111.62 137.01 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.1 119.52 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 62.4 41.55 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 61.96 32.51 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.61 127.45 43.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.12 146.19 30.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -161.47 -173.18 29.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mp -135.4 148.79 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.431 ' CE2' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -165.32 157.71 13.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.73 137.15 78.43 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.641 2.227 . . . . 0.0 112.424 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.409 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -65.29 -19.46 65.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.312 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -62.12 -17.78 58.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.397 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' O ' ' O ' ' A' ' 53' ' ' VAL . 14.3 m-85 -82.53 -93.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.642 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.581 ' O ' ' O ' ' A' ' 52' ' ' PHE . 6.9 m -16.81 144.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -133.44 116.52 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.959 0.409 . . . . 0.0 111.469 179.176 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.66 136.52 49.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.976 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.0 mt -94.5 164.25 13.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -108.35 159.31 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.59 29.92 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -177.52 -174.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.259 -0.876 . . . . 0.0 110.924 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.841 0.353 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 59.88 84.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -135.94 144.42 45.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 m -146.96 142.86 27.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.7 ttpp -117.14 126.25 52.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 0.0 111.304 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -62.66 143.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.294 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.65 -23.32 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.368 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.21 178.94 4.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.889 0.376 . . . . 0.0 111.173 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -107.36 142.54 37.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -130.26 144.08 51.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.1 tt -117.7 111.95 39.14 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.99 172.68 14.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.361 2.04 . . . . 0.0 112.249 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -152.88 26.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -161.0 162.73 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -62.85 -28.71 70.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -97.92 31.12 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -130.83 125.51 33.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.773 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -97.82 161.69 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -102.33 107.24 18.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 HD22 ' CG ' ' A' ' 48' ' ' PHE . 1.9 mt -79.68 86.03 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.624 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.24 127.3 31.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 p -59.32 132.7 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.27 -5.82 82.7 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.754 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -93.53 141.63 28.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 25' ' ' ILE . 25.6 mm -95.95 124.24 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.33 138.0 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.008 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.2 119.66 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.5 pt -86.57 129.02 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.995 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -110.92 -46.0 3.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.05 145.83 38.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -100.49 113.74 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.14 -67.42 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -172.17 -178.08 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.61 75.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.27 -28.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.535 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -135.33 139.9 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -124.91 156.0 38.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.04 135.36 54.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -155.99 -172.32 23.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -149.94 135.35 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 6.8 mp -100.56 -74.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -132.2 81.7 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.7 t30 60.61 24.07 13.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.026 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -127.67 115.6 18.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.28 143.96 32.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.72 -160.71 17.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.32 154.45 50.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.843 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -166.44 166.29 9.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.7 121.05 9.22 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.606 2.204 . . . . 0.0 112.218 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.2 p -61.7 -20.77 63.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -62.47 -30.26 71.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' O ' ' O ' ' A' ' 53' ' ' VAL . 2.8 m-85 -65.42 -90.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.72 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.569 ' O ' ' O ' ' A' ' 52' ' ' PHE . 31.3 m -16.9 145.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' LYS . 1.1 ttpt -130.08 116.68 18.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.398 . . . . 0.0 111.635 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 136.3 37.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -78.95 -80.36 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 55.05 32.03 17.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.83 -167.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 77.77 69.8 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.857 0.361 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -128.79 137.45 51.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -146.98 144.28 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.2 m -145.95 141.56 27.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.654 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -117.04 126.25 52.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 111.481 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.44 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 6.0 t -66.28 144.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.143 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.459 ' CD1' ' HG3' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -91.25 -30.61 16.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.979 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -114.69 178.96 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.161 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.05 157.47 17.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.465 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 56.5 t80 -134.04 144.09 48.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.7 mm -104.4 106.86 55.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.18 166.63 27.41 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.443 2.096 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.2 36.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -140.59 165.36 27.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -30.56 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.91 64.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -140.57 123.89 16.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.0 tp -97.94 154.97 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.05 107.27 19.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 48' ' ' PHE . 24.5 mt -87.74 87.72 7.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 158.36 27.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.86 128.78 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.25 -5.73 83.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.877 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -79.98 133.27 36.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.0 111.099 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.416 HG23 HD13 ' A' ' 25' ' ' ILE . 20.4 mm -96.13 124.14 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.4 mm -129.39 130.37 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.279 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.75 126.52 41.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.3 mt -68.78 136.05 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -109.42 -30.33 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -161.08 129.65 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -93.33 118.39 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.0 t -66.2 -72.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.172 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -137.9 -69.24 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.848 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -169.47 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.15 -27.46 52.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.368 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.42 ' CZ3' ' HG3' ' A' ' 49' ' ' PRO . 72.6 m95 -119.06 115.92 25.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.664 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.435 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 16.6 m0 -113.38 161.8 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.9 m -109.85 157.5 19.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.774 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -151.16 166.04 30.44 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.4 m -163.5 101.59 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.53 -68.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -140.63 -62.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -131.93 31.08 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -127.44 116.29 20.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mp -117.42 129.85 56.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.85 167.42 39.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.29 152.26 30.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.425 ' CD2' ' HG ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -162.35 165.61 15.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.42 ' HG3' ' CZ3' ' A' ' 36' ' ' TRP . 37.3 Cg_exo -57.76 126.58 22.2 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.616 2.211 . . . . 0.0 112.507 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.435 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 17.4 t -61.89 -19.77 63.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.197 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -62.05 -25.14 67.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.173 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' O ' ' A' ' 53' ' ' VAL . 24.8 m-85 -70.57 -91.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.612 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.574 ' O ' ' O ' ' A' ' 52' ' ' PHE . 5.6 m -16.79 145.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -137.24 116.47 12.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 111.715 179.314 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 135.96 57.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.49 157.0 14.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -148.09 83.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.798 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 mp 60.91 31.24 19.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -109.27 -32.07 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 38.5 t60 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.868 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -100.97 111.76 24.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.783 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -137.75 151.46 48.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 m -145.66 147.22 31.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.471 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -119.88 126.75 51.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.039 0.447 . . . . 0.0 111.456 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 3.5 t -61.6 143.75 14.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.19 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' CD1' ' CD2' ' A' ' 8' ' ' PHE . 3.6 pp -93.47 -23.1 18.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.043 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.452 ' CD2' ' CD1' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -114.85 179.04 4.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.928 0.394 . . . . 0.0 111.021 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -99.26 171.0 8.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.414 ' CD2' HD22 ' A' ' 20' ' ' LEU . 62.4 t80 -155.01 144.18 21.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.05 107.87 51.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.58 151.43 82.86 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.411 2.074 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.71 28.11 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.93 164.01 31.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.03 -30.16 70.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.08 31.76 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.5 127.47 47.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.4 tp -97.91 158.89 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.724 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -98.3 107.11 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.055 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 2.8 mm? -73.97 105.05 5.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.4 129.96 39.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.799 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -53.44 128.64 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.97 -5.84 84.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.718 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -90.45 133.01 35.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.786 0.327 . . . . 0.0 110.933 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -95.87 140.61 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.42 139.52 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.73 119.69 33.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.8 mp -81.56 136.06 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -94.79 -46.11 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.46 163.25 14.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -80.55 108.88 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.76 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.4 m -63.0 -46.65 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.495 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -150.54 -175.85 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.053 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -87.69 53.21 2.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.42 -36.61 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.026 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 29.4 m95 -106.62 150.45 26.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.718 0.294 . . . . 0.0 110.447 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.4 ' CG ' ' OG ' ' A' ' 50' ' ' SER . 5.3 m0 -122.63 161.72 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 111.089 -179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.82 157.53 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.64 162.67 29.15 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.643 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.96 131.25 30.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.727 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.06 95.37 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.105 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 63.03 66.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.216 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t30 56.5 31.7 19.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.292 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -114.55 132.42 56.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.757 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.5 133.67 55.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.97 167.66 38.12 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.375 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -126.1 148.47 49.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' CE2' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.6 166.01 9.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.89 122.65 11.29 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.646 2.23 . . . . 0.0 112.347 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.4 ' OG ' ' CG ' ' A' ' 37' ' ' TRP . 12.0 t -65.26 -19.86 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.313 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.26 -20.71 64.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.413 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' O ' ' O ' ' A' ' 53' ' ' VAL . 6.0 m-85 -78.07 -84.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.982 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.566 ' O ' ' O ' ' A' ' 52' ' ' PHE . 31.5 m -16.43 145.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -123.13 131.75 53.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.438 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.18 135.73 33.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.809 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.68 179.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.43 142.28 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mp -111.32 160.66 16.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.78 57.17 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.691 ' HB3' HD11 ' A' ' 28' ' ' ILE . 19.2 mtt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -145.73 144.05 30.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 m -148.14 142.12 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HB2' HD13 ' A' ' 25' ' ' ILE . 4.1 ttpt -119.58 126.23 50.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.05 0.452 . . . . 0.0 111.198 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.8 t -63.54 144.06 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.22 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.818 HD12 ' N ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -91.73 -26.72 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.406 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.818 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -127.27 178.97 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 111.071 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -94.59 153.84 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -126.91 144.12 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -118.4 106.84 44.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.025 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.74 153.14 29.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.51 2.14 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.23 -34.92 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -103.89 163.39 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -30.85 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 47' ' ' LEU . 12.1 m-20 -70.29 -13.43 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.306 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -99.07 134.28 42.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.879 0.371 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -98.33 163.67 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.547 ' N ' HD23 ' A' ' 18' ' ' LEU . 18.9 tt0 -98.47 107.26 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.997 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.612 ' HB3' HG21 ' A' ' 6' ' ' VAL . 4.7 mt -81.68 111.44 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.33 137.95 32.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 7' ' ' LEU . 9.9 p -67.03 128.67 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.11 -5.83 84.07 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.864 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' OD1' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -85.29 140.57 30.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.961 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 5' ' ' LYS . 21.3 mm -95.85 127.25 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.449 ' CD1' HD23 ' A' ' 20' ' ' LEU . 28.5 mt -124.32 127.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.1 119.61 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.691 HD11 ' HB3' ' A' ' 2' ' ' ARG . 38.7 pt -86.55 133.06 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -104.05 -45.79 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -162.73 142.47 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 107.79 19.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.2 t -60.07 -41.01 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -144.97 172.85 12.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -29.97 68.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.15 -36.54 3.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -100.9 121.52 41.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -116.68 161.48 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.9 m -111.79 157.39 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.31 176.22 40.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 m -143.61 115.8 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.438 HD21 ' OD1' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -79.08 -76.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -115.68 -73.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.6 26.0 2.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -127.69 147.2 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.01 141.68 51.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.483 ' HA3' HD12 ' A' ' 18' ' ' LEU . . . -168.37 -172.95 35.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 16' ' ' ASP . 0.8 OUTLIER -130.5 158.57 39.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.46 160.81 12.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.04 127.75 26.22 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.632 2.221 . . . . 0.0 112.409 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.13 -19.5 66.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.339 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -62.01 -24.82 67.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.355 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' O ' ' A' ' 53' ' ' VAL . 17.6 m-85 -76.76 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.677 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.716 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.5 m -16.72 145.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.52 116.68 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.905 0.383 . . . . 0.0 111.471 179.407 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -64.16 136.55 57.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.033 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -151.18 149.71 29.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.8 m -148.17 149.5 32.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.537 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -117.03 126.2 52.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.146 0.498 . . . . 0.0 111.202 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.736 HG21 HD22 ' A' ' 20' ' ' LEU . 3.2 t -64.33 143.7 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.506 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.893 HD23 ' HG3' ' A' ' 54' ' ' LYS . 4.4 pp -95.22 -21.16 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.819 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.561 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -114.61 178.91 4.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.752 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -100.21 168.21 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -155.04 144.22 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 11' ' ' ILE . 1.3 tp -117.18 118.77 35.54 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.94 127.66 13.94 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.384 2.056 . . . . 0.0 112.334 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -39.08 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -89.83 167.43 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -37.13 83.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.23 48.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -140.41 126.38 19.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 163.69 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -93.99 107.27 19.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.885 HD11 ' CG ' ' A' ' 48' ' ' PHE . 7.3 mt -88.56 91.57 8.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -79.31 140.24 37.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.749 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.28 128.82 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.2 -5.8 65.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -93.56 126.64 38.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.8 0.333 . . . . 0.0 110.992 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 25' ' ' ILE . 16.6 tt -98.01 127.64 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.627 ' CD1' HD23 ' A' ' 20' ' ' LEU . 20.3 mt -120.73 138.57 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.22 119.58 24.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.8 pt -80.86 134.6 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.41 -46.16 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.38 164.78 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.132 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' NE1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -97.88 147.99 23.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.548 HG21 HD21 ' A' ' 47' ' ' LEU . 21.8 t -98.6 -62.54 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.14 -174.39 4.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -84.67 59.78 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.64 -41.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.528 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -127.0 132.7 50.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.438 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 10.7 m0 -113.08 161.66 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m -110.0 157.46 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.37 172.37 31.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -142.33 144.58 33.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -146.07 113.49 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.972 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.41 -83.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -145.55 16.57 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.237 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.85 128.5 45.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.774 0.321 . . . . 0.0 110.858 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 45' ' ' LEU . 2.0 pt? -121.78 137.77 54.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.17 165.58 27.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.381 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.548 HD21 HG21 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -110.54 148.63 31.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.904 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.885 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.48 167.21 8.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 33.0 Cg_exo -57.83 120.86 9.04 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.557 2.171 . . . . 0.0 112.373 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 13.7 p -65.31 -19.91 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.269 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -62.32 -22.7 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.281 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' ' O ' ' A' ' 53' ' ' VAL . 5.6 m-85 -76.64 -86.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.735 ' HA ' HG22 ' A' ' 6' ' ' VAL . 9.4 m -16.59 145.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.893 ' HG3' HD23 ' A' ' 7' ' ' LEU . 3.7 tttt -127.02 125.68 41.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.981 0.42 . . . . 0.0 111.561 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.83 136.63 38.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.938 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.998 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.614 ' HB3' HD11 ' A' ' 25' ' ' ILE . 55.3 mt-30 -130.56 151.81 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.419 ' HA ' HD23 ' A' ' 56' ' ' LEU . 19.4 m -148.01 148.35 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -128.25 126.99 41.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.051 0.453 . . . . 0.0 111.187 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.826 HG22 ' HA ' ' A' ' 53' ' ' VAL . 4.4 t -61.51 143.75 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.8 HD23 ' HG3' ' A' ' 54' ' ' LYS . 3.6 pp -96.35 -21.17 17.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.681 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -114.59 179.0 4.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 111.005 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -104.58 149.64 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -138.36 134.27 34.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.34 106.84 53.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.84 128.36 8.43 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -95.93 -30.35 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -100.88 154.93 18.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.32 -33.73 76.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -65.37 -18.06 65.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.257 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.02 141.57 31.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.852 0.358 . . . . 0.0 111.007 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.659 HD23 ' H ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -103.1 158.64 16.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.659 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.4 tt0 -89.21 109.13 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.66 ' HB3' HG21 ' A' ' 6' ' ' VAL . 3.1 mp -90.51 110.07 21.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -99.26 163.28 12.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -68.09 128.82 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.404 ' HA2' ' HE2' ' A' ' 5' ' ' LYS . . . 90.48 -5.89 82.42 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.881 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -79.5 132.73 36.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.002 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 3' ' ' GLN . 16.8 tt -113.26 124.17 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.468 HG22 ' HA3' ' A' ' 39' ' ' GLY . 3.7 mp -114.95 125.92 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.15 119.52 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.0 pt -86.56 136.16 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.27 -45.94 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.77 164.74 26.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 6.2 mt-10 -95.11 152.59 18.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 t -89.03 -66.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.91 -72.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -173.88 35.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.19 -51.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.333 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.743 ' HB3' HD13 ' A' ' 47' ' ' LEU . 16.2 m95 -101.38 131.15 47.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 110.61 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.44 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 6.3 m0 -111.96 159.74 18.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.025 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -110.06 135.72 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.468 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -147.1 177.63 25.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.542 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 m -132.58 127.31 34.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.38 30.44 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.8 t30 57.99 21.82 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 176.46 -43.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.727 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.528 ' HB3' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -99.42 145.29 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.22 123.32 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.589 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -172.1 160.0 31.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.584 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 36' ' ' TRP . 3.9 pp -107.54 161.89 14.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.49 167.74 7.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.048 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.86 124.6 16.37 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.64 2.227 . . . . 0.0 112.393 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.44 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 10.8 t -65.14 -19.68 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.251 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -25.62 67.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.168 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.556 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-85 -76.67 -85.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.727 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.826 ' HA ' HG22 ' A' ' 6' ' ' VAL . 27.2 m -16.54 145.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.8 ' HG3' HD23 ' A' ' 7' ' ' LEU . 10.0 tttt -122.8 120.15 32.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.313 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.86 136.58 57.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD21 HD12 ' A' ' 25' ' ' ILE . 3.6 mm? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.522 ' HB3' HD11 ' A' ' 25' ' ' ILE . 14.5 mt-30 -141.05 151.0 43.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -146.03 140.63 26.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -117.28 126.17 52.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.199 0.523 . . . . 0.0 111.409 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.852 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -64.64 144.01 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.25 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.609 HD11 ' HG2' ' A' ' 54' ' ' LYS . 3.3 mt -97.27 -21.35 17.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.025 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.519 ' H ' HG12 ' A' ' 6' ' ' VAL . 11.2 m-85 -114.63 178.9 4.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.864 0.364 . . . . 0.0 111.018 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.78 161.45 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 60.6 t80 -149.84 144.06 25.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.9 mp -108.43 106.84 59.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.167 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -79.94 -44.97 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.473 2.116 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HG2' HG22 ' A' ' 11' ' ' ILE . 11.3 mm-40 54.65 29.69 11.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.87 152.87 19.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.05 -31.59 72.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.15 -35.89 74.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -99.54 134.59 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.447 HD11 ' HG3' ' A' ' 44' ' ' LYS . 5.7 tp -97.91 149.81 22.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -83.03 107.28 15.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.744 HD22 HG21 ' A' ' 6' ' ' VAL . 40.7 mt -87.41 84.04 7.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.769 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -79.29 143.96 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 7' ' ' LEU . 10.0 p -58.22 134.69 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.22 -5.83 75.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.765 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.48 130.83 44.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.795 0.331 . . . . 0.0 111.0 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.522 HD11 ' HB3' ' A' ' 3' ' ' GLN . 2.2 tt -106.43 125.47 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.567 HD13 ' CD2' ' A' ' 20' ' ' LEU . 3.5 mp -118.75 139.47 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -93.37 126.18 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 ' H ' ' A' ' 28' ' ' ILE . 1.9 mp -68.8 136.14 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -105.41 -36.22 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.37 129.66 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -77.33 122.82 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.628 HG12 ' HG3' ' A' ' 33' ' ' GLU . 24.3 t -70.64 -62.73 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.628 ' HG3' HG12 ' A' ' 32' ' ' VAL . 15.5 mt-10 -136.88 -159.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.688 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -92.34 30.63 1.44 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.869 0.366 . . . . 0.0 110.987 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.41 -43.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.208 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -95.64 131.28 42.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.791 0.329 . . . . 0.0 110.699 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.429 ' CE3' HG12 ' A' ' 28' ' ' ILE . 8.8 m0 -114.43 161.78 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.057 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 28' ' ' ILE . 8.0 t -109.86 157.53 19.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.59 151.99 23.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.0 m -136.79 111.76 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.37 87.24 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.46 -73.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -144.17 31.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.447 ' HG3' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -120.2 112.72 19.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.63 144.99 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 179.83 163.17 30.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.7 mt -123.97 148.79 46.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.649 ' CD1' HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -162.59 165.6 15.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.94 124.23 15.51 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.555 2.17 . . . . 0.0 112.34 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.405 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 16.9 t -64.01 -19.89 65.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.39 -28.69 69.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' O ' ' O ' ' A' ' 53' ' ' VAL . 16.7 m-85 -66.86 -88.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.712 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.852 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.5 m -16.73 145.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.609 ' HG2' HD11 ' A' ' 7' ' ' LEU . 6.7 tptt -135.24 117.5 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.075 0.464 . . . . 0.0 111.748 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.13 136.57 39.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.035 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.65 ' HD2' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.626 ' CB ' HD11 ' A' ' 25' ' ' ILE . 33.9 mt-30 -128.04 157.37 40.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 14.5 m -145.77 141.16 27.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -117.23 126.06 52.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.262 0.553 . . . . 0.0 111.432 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.823 HG22 ' HA ' ' A' ' 53' ' ' VAL . 18.2 t -62.52 143.94 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.458 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.717 HD11 ' HG2' ' A' ' 54' ' ' LYS . 6.2 mt -94.38 -32.84 13.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.498 ' C ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -114.51 178.85 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.963 -179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.582 ' HG3' HG23 ' A' ' 22' ' ' VAL . 1.3 tt0 -99.73 165.38 11.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 33.4 t80 -143.15 143.62 31.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mm -111.23 106.75 57.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.67 157.79 28.24 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.473 2.116 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.5 23.29 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.87 153.69 21.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.779 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -29.91 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.01 -14.75 61.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.336 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.93 134.33 41.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.854 0.359 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -97.89 161.16 13.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -97.72 107.17 19.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' A' ' 6' ' ' VAL . 3.1 mm? -73.04 99.79 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.759 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.28 127.97 32.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.582 HG23 ' HG3' ' A' ' 9' ' ' GLU . 21.7 t -59.31 128.74 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.67 83.12 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.938 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.54 132.99 44.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.921 0.391 . . . . 0.0 111.036 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 3' ' ' GLN . 12.2 tt -97.95 141.07 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.446 HG22 ' H ' ' A' ' 40' ' ' THR . 2.1 mp -123.82 136.63 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.09 119.47 22.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.65 HD11 ' HD2' ' A' ' 2' ' ' ARG . 16.8 pt -86.76 123.02 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -90.95 -46.08 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -167.39 164.68 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.124 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 37' ' ' TRP . 33.8 tt0 -92.33 128.18 38.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 33' ' ' GLU . 12.2 p -74.59 -44.37 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 32' ' ' VAL . 2.6 pt-20 -175.98 174.21 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.98 115.62 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.0 -25.88 13.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.628 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -128.14 154.1 46.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.968 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.544 ' HZ3' HD12 ' A' ' 28' ' ' ILE . 2.5 m95 -141.27 161.49 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -110.05 150.57 28.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.61 167.51 29.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.446 ' H ' HG22 ' A' ' 26' ' ' ILE . 4.5 m -155.25 128.81 8.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.838 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.32 -49.46 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -178.46 -49.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -119.55 -31.15 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -91.8 141.58 28.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.998 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 tp -133.18 141.64 48.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.791 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.6 -175.46 40.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.561 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -129.6 155.76 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.38 167.73 8.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.85 121.43 10.0 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.554 2.17 . . . . 0.0 112.338 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.406 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 10.0 t -61.13 -19.87 62.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -62.3 -27.11 68.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.116 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' O ' ' O ' ' A' ' 53' ' ' VAL . 9.0 m-85 -70.03 -89.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.799 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.823 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.7 m -16.64 145.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 113.034 0.754 . . . . 0.0 113.034 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.717 ' HG2' HD11 ' A' ' 7' ' ' LEU . 2.3 tptm -140.98 116.95 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 0.0 112.153 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 7.4 tt0 -68.1 133.13 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.876 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.848 0.356 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.437 ' HG3' HD11 ' A' ' 25' ' ' ILE . 27.7 pt20 -130.37 165.04 23.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.42 ' C ' HD12 ' A' ' 25' ' ' ILE . 9.1 m -147.36 153.0 39.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -124.94 126.8 46.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.061 0.458 . . . . 0.0 111.327 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 53' ' ' VAL . 5.4 t -61.45 143.91 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.451 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.882 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.6 pp -92.73 -24.49 18.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.306 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.882 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -114.83 178.97 4.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.923 0.392 . . . . 0.0 111.137 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.77 164.36 13.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -151.05 141.55 22.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.87 116.13 38.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.03 149.11 28.39 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.448 2.099 . . . . 0.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -103.78 -33.91 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -133.14 174.33 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.99 -32.22 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.8 -30.39 70.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -99.07 138.02 36.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.552 HD13 ' HA3' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -108.16 157.13 18.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -90.7 107.21 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.826 HD11 ' CG ' ' A' ' 48' ' ' PHE . 37.9 mt -88.39 122.74 32.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.013 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -97.14 152.34 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.656 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 7' ' ' LEU . 4.4 m -65.73 128.48 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.095 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.97 -5.7 84.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.989 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.02 132.64 34.01 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 111.169 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -102.19 140.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.613 HG13 HD12 ' A' ' 41' ' ' LEU . 3.4 mp -131.99 127.75 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.164 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.74 119.66 22.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 38' ' ' SER . 2.3 mp -69.2 136.19 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.57 -38.84 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.37 133.15 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -76.57 142.33 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.48 -50.82 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -176.69 176.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.58 66.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.87 -41.12 0.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -120.97 135.01 55.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.439 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 0.8 OUTLIER -124.77 159.55 30.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -110.06 157.47 19.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.75 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.07 151.72 22.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.621 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -123.47 131.67 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.723 0.296 . . . . 0.0 110.737 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.613 HD12 HG13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -123.2 82.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.197 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 56.48 85.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.249 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.5 m120 52.61 27.73 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.229 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.15 124.49 41.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.97 145.48 29.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.552 ' HA3' HD13 ' A' ' 18' ' ' LEU . . . -169.78 161.04 34.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.425 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mt -134.2 148.62 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.826 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.5 164.5 10.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.44 130.34 28.08 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.607 2.205 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.439 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 63.6 p -65.1 -19.82 66.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.23 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -62.29 -28.15 69.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.097 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.3 m-85 -77.38 -82.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.784 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.777 ' HA ' HG22 ' A' ' 6' ' ' VAL . 6.9 m -16.51 145.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.823 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.69 118.34 27.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.281 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -87.27 136.54 32.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.967 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.6 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.5 pp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.796 0.332 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -149.02 153.71 38.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 55.8 m -141.61 161.69 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 7.2 ttpt -123.71 126.27 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.421 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.729 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -62.9 143.94 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.35 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.855 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.1 pp -91.92 -22.71 19.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.302 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.855 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -119.47 178.98 4.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.875 0.369 . . . . 0.0 111.094 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.76 142.22 27.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.769 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -124.4 143.96 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.002 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.63 123.11 25.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.37 157.01 25.68 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.427 2.085 . . . . 0.0 112.47 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -136.68 -47.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -83.96 171.51 12.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -66.43 -31.34 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -96.65 41.85 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -130.48 123.49 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER -97.99 152.28 19.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.784 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.631 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.8 tt0 -86.0 107.28 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.756 HD13 ' CE2' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -101.92 93.81 5.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -79.34 153.24 29.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.8 128.78 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 -5.81 63.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.829 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.62 134.3 34.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.2 mt -99.82 139.96 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.681 HG12 HD11 ' A' ' 20' ' ' LEU . 3.5 mp -133.23 126.63 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.71 121.83 27.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -86.6 136.17 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.019 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.8 -46.01 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -167.35 164.57 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.0 152.44 29.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.78 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.864 HG21 HD21 ' A' ' 47' ' ' LEU . 17.5 t -119.23 -65.62 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.305 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.659 ' OE2' HG12 ' A' ' 32' ' ' VAL . 3.1 mp0 -120.68 161.56 21.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.008 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.79 112.62 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.0 19.93 60.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.424 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -147.13 120.83 9.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.792 0.33 . . . . 0.0 110.638 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -111.91 160.78 17.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.043 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.07 157.44 19.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.455 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -159.74 172.71 36.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.545 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.1 m -135.15 154.62 51.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -124.45 -74.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -141.0 -58.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.83 19.71 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -127.77 133.94 49.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.765 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.6 tp -132.87 137.19 46.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.711 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -175.65 177.08 47.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.864 HD21 HG21 ' A' ' 32' ' ' VAL . 6.7 mt -112.62 148.75 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.756 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -156.27 164.21 22.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.802 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.58 121.06 9.25 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.595 2.197 . . . . 0.0 112.37 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -19.67 65.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.216 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -62.11 -26.32 68.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.172 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' O ' ' O ' ' A' ' 53' ' ' VAL . 7.3 m-85 -71.76 -86.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.746 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.729 ' HA ' HG22 ' A' ' 6' ' ' VAL . 19.1 m -16.66 145.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.804 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.87 126.33 46.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.36 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.12 136.6 50.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.043 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -148.72 144.45 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HA ' HD23 ' A' ' 56' ' ' LEU . 17.0 m -147.76 143.03 27.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.637 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 1.4 tmmm? -121.38 126.47 49.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.165 0.507 . . . . 0.0 111.326 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.3 t -63.51 143.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.349 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.941 HD23 ' HG3' ' A' ' 54' ' ' LYS . 3.7 pp -95.57 -21.92 17.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.104 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.706 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -116.77 178.98 4.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.829 0.347 . . . . 0.0 110.829 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -107.46 154.03 21.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -137.56 144.25 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.43 107.04 47.71 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -78.66 -167.14 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.574 2.182 . . . . 0.0 112.274 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -158.18 -42.09 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -94.39 166.67 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.351 . . . . 0.0 111.068 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.55 -19.08 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.33 29.46 2.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.785 0.326 . . . . 0.0 111.056 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -143.93 121.51 11.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.746 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.524 HD23 ' HE2' ' A' ' 48' ' ' PHE . 34.6 tp -97.89 151.52 20.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.62 107.35 18.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.686 HD21 ' CE2' ' A' ' 48' ' ' PHE . 41.3 mt -80.04 110.65 15.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -91.22 142.63 27.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.4 HG12 ' CA ' ' A' ' 8' ' ' PHE . 4.8 m -63.75 128.78 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.01 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.41 -5.69 83.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.851 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.76 128.31 36.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.829 0.347 . . . . 0.0 111.021 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.752 HD12 HD21 ' A' ' 56' ' ' LEU . 3.3 tt -97.72 124.19 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.518 HG22 ' HA3' ' A' ' 39' ' ' GLY . 3.7 mp -110.38 123.12 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -74.19 119.56 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 38' ' ' SER . 14.8 pt -86.6 122.41 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -93.94 -44.84 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -157.6 163.3 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 125.91 37.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.562 HG13 ' HB2' ' A' ' 38' ' ' SER . 13.9 m -72.97 -37.27 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 32' ' ' VAL . 9.3 pt-20 -178.12 -178.94 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.54 102.29 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.77 -54.39 0.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -99.39 139.74 34.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.703 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -118.22 161.39 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.562 ' HB2' HG13 ' A' ' 32' ' ' VAL . 29.6 t -117.91 155.6 29.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.518 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -157.08 175.1 34.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.538 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.58 167.32 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.793 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.63 -53.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 1.4 p-10 -166.16 82.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 60.61 21.52 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.68 118.34 23.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.73 146.17 33.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.723 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -166.34 169.12 40.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -127.14 153.52 45.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.686 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.35 164.21 11.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.06 122.8 12.33 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.608 2.205 . . . . 0.0 112.259 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 t -64.37 -20.37 66.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -62.42 -26.82 68.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.563 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-85 -72.95 -84.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.788 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.785 ' HA ' HG22 ' A' ' 6' ' ' VAL . 16.6 m -16.56 145.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.941 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -125.59 116.67 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.412 179.184 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.8 136.52 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.752 HD21 HD12 ' A' ' 25' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.736 0.303 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -147.14 147.29 30.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.3 m -148.04 149.74 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -117.08 126.48 52.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 111.226 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.732 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -61.84 143.75 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.312 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.843 HD23 ' HG3' ' A' ' 54' ' ' LYS . 3.8 pp -96.63 -21.46 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.157 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.506 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -118.74 178.96 4.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.849 0.356 . . . . 0.0 111.01 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.36 150.16 27.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.744 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.497 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 44.4 t80 -132.99 144.17 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.018 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 mm -116.98 106.96 46.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.85 155.48 48.6 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.457 2.105 . . . . 0.0 112.425 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -107.55 -31.2 8.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.793 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -118.57 167.59 11.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -30.41 70.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -63.49 -23.86 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -99.02 134.62 41.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.992 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD13 ' H ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -97.96 154.78 17.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.49 ' H ' HD13 ' A' ' 18' ' ' LEU . 2.3 tt0 -92.64 107.58 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.647 HD21 ' CG ' ' A' ' 48' ' ' PHE . 3.4 mm? -68.7 106.77 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -82.97 124.69 30.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.73 128.86 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.37 -5.76 83.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.26 133.93 38.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.847 0.356 . . . . 0.0 111.136 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.62 HD12 HD21 ' A' ' 56' ' ' LEU . 1.9 tt -96.95 124.18 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.99 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.554 HG12 HD11 ' A' ' 41' ' ' LEU . 2.1 mt -111.02 137.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -94.59 119.85 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 38' ' ' SER . 2.4 mt -78.01 136.21 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -97.21 -46.11 6.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -167.45 148.06 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.17 151.57 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.717 HG21 HD23 ' A' ' 47' ' ' LEU . 21.5 t -117.04 -57.89 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.213 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.486 ' OE2' HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -143.76 165.76 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.51 114.56 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.663 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.68 -20.85 47.83 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.45 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -106.55 109.46 21.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 11.6 m0 -112.03 161.8 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.03 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.791 ' O ' HG23 ' A' ' 28' ' ' ILE . 1.5 t -109.81 157.5 19.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.996 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.52 164.64 30.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.0 m -118.92 136.02 54.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HG12 ' A' ' 26' ' ' ILE . 22.3 mt -145.93 94.75 2.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m120 67.77 60.85 0.44 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.21 25.73 11.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.357 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -127.73 130.77 49.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mp -104.5 124.29 49.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.481 ' HA3' HD23 ' A' ' 18' ' ' LEU . . . -137.63 143.05 14.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.34 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.717 HD23 HG21 ' A' ' 32' ' ' VAL . 1.1 mp -102.17 148.57 25.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.995 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.647 ' CG ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.52 167.53 8.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.874 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.87 121.2 9.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.627 2.218 . . . . 0.0 112.519 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.443 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 89.4 p -65.14 -19.61 66.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.342 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -61.98 -18.57 60.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.398 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' O ' ' A' ' 53' ' ' VAL . 28.5 m-85 -79.82 -87.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.65 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.732 ' HA ' HG22 ' A' ' 6' ' ' VAL . 29.7 m -16.73 145.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.843 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -124.89 132.03 53.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.979 0.418 . . . . 0.0 111.473 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -73.43 136.58 44.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.62 HD21 HD12 ' A' ' 25' ' ' ILE . 4.2 mm? . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.804 0.335 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -139.25 146.63 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.7 m -144.81 149.29 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.716 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' LYS . 5.3 ttmt -117.16 126.26 52.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.295 0.569 . . . . 0.0 111.536 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.875 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.8 t -69.14 144.05 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.22 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.767 HD21 ' HD2' ' A' ' 54' ' ' LYS . 2.5 mt -91.72 -27.63 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.433 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -116.23 178.85 4.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.785 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.67 149.21 28.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -127.57 143.72 51.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 11' ' ' ILE . 19.7 tt -117.05 120.62 33.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.7 144.38 35.23 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.407 2.072 . . . . 0.0 112.383 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -37.33 4.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.87 166.55 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.5 -28.76 69.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -94.66 43.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -138.6 133.46 32.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.872 HD11 ' HG2' ' A' ' 44' ' ' LYS . 5.6 tp -97.95 162.15 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -105.29 107.35 18.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.508 HD11 ' CG ' ' A' ' 48' ' ' PHE . 22.7 mt -89.43 108.34 19.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 139.43 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 7' ' ' LEU . 8.7 p -59.32 128.87 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.25 -5.7 84.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.842 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -84.43 143.53 29.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.86 0.362 . . . . 0.0 111.049 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.484 HD13 ' HG3' ' A' ' 5' ' ' LYS . 18.7 mm -95.98 128.16 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 26' ' ' ILE . 3.6 mp -128.74 128.27 67.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.322 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -96.87 123.78 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 38' ' ' SER . 3.8 mp -77.04 125.8 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.69 -31.32 13.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -166.95 133.09 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.09 129.25 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.759 HG21 HD23 ' A' ' 47' ' ' LEU . 21.5 t -74.42 -64.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -167.02 178.47 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 85.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 -49.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.577 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -108.04 129.63 55.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.424 ' CE3' HG12 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -123.6 161.66 24.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.663 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -109.92 157.44 19.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.79 165.89 33.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 m -147.62 139.66 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.85 -32.67 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.13 -70.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -129.31 17.3 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.872 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -123.11 121.78 36.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.852 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.36 136.8 54.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.3 -174.91 29.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.406 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.759 HD23 HG21 ' A' ' 32' ' ' VAL . 5.7 mp -127.41 148.77 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -163.66 166.96 11.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 34.4 Cg_exo -57.93 121.07 9.38 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.498 2.132 . . . . 0.0 112.309 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.408 ' HB2' ' CG ' ' A' ' 37' ' ' TRP . 21.3 t -63.03 -19.8 64.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.192 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.28 -26.42 68.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.269 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' ' O ' ' A' ' 53' ' ' VAL . 3.8 m-85 -66.89 -90.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.875 ' HA ' HG22 ' A' ' 6' ' ' VAL . 11.3 m -16.75 145.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.767 ' HD2' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -137.26 116.35 12.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.01 0.433 . . . . 0.0 111.978 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.93 136.52 57.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.009 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.406 ' CD ' HD11 ' A' ' 28' ' ' ILE . 3.6 mmt180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -136.96 153.62 50.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 m -146.6 140.58 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.557 ' HB2' HD13 ' A' ' 25' ' ' ILE . 7.2 ttpt -123.96 125.51 44.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.187 0.518 . . . . 0.0 111.283 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.747 HG22 ' HA ' ' A' ' 53' ' ' VAL . 9.6 t -62.3 144.09 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.329 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.664 HD11 ' HG3' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -91.62 -24.83 19.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.64 ' C ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -114.54 179.0 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 111.044 -179.667 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.43 148.73 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -138.75 144.07 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -125.39 131.29 24.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.75 145.07 15.86 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.543 2.162 . . . . 0.0 112.393 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -128.15 -42.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -83.92 171.29 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.967 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.32 -37.16 84.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.22 58.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -140.5 124.32 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.54 153.55 19.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.47 107.2 17.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.654 HD13 ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -106.23 87.97 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 168.41 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.64 HG22 ' C ' ' A' ' 8' ' ' PHE . 30.5 t -66.51 128.76 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.34 -5.79 71.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.938 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.63 130.14 37.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.809 0.338 . . . . 0.0 111.065 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 5' ' ' LYS . 25.8 mm -95.91 128.15 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.646 HG12 HD11 ' A' ' 20' ' ' LEU . 3.4 mp -130.37 139.06 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.19 119.63 33.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.406 HD11 ' CD ' ' A' ' 2' ' ' ARG . 13.7 pt -83.64 135.96 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -108.91 -46.04 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -167.41 151.24 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.47 134.88 39.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.609 HG21 HD21 ' A' ' 47' ' ' LEU . 24.0 t -87.58 -67.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -134.75 170.85 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.6 90.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.36 -22.81 5.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.651 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.69 ' HB3' HD11 ' A' ' 47' ' ' LEU . 56.5 m95 -116.39 132.09 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 3.1 m0 -120.46 161.56 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.6 m -113.27 154.41 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.27 171.53 39.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 m -133.63 117.04 16.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.92 -62.56 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -133.01 -62.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.779 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -146.37 21.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.76 137.92 52.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.821 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 tt -110.45 111.54 22.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.63 -159.27 10.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -144.85 148.47 34.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.767 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -166.5 160.61 12.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.96 124.69 16.55 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.597 2.198 . . . . 0.0 112.311 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.418 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 46.8 t -63.64 -19.74 65.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.212 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.2 -25.68 67.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.583 ' O ' ' O ' ' A' ' 53' ' ' VAL . 6.7 m-85 -74.85 -89.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.704 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 6' ' ' VAL . 14.6 m -16.75 145.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.664 ' HG3' HD11 ' A' ' 7' ' ' LEU . 1.6 tmtm? -121.59 123.22 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 111.422 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -75.06 136.15 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.637 ' HB3' HD11 ' A' ' 25' ' ' ILE . 17.8 mt-30 -129.41 149.82 51.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.9 m -148.12 140.69 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 4.2 ttpt -119.93 126.5 51.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.096 0.474 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.787 HG22 ' HA ' ' A' ' 53' ' ' VAL . 5.4 t -61.77 143.93 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.452 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -95.17 -21.61 18.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.335 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.864 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -115.11 178.99 4.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.003 0.43 . . . . 0.0 111.232 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.97 141.17 36.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.786 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.411 ' O ' HD13 ' A' ' 11' ' ' ILE . 78.7 t80 -124.57 144.16 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 10' ' ' TYR . 30.0 mm -121.36 106.84 37.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.03 -167.42 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.471 2.114 . . . . 0.0 112.255 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -160.18 -45.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -92.25 167.14 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -25.09 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -93.57 43.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.029 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -143.93 131.88 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.688 HD23 ' N ' ' A' ' 19' ' ' GLU . 3.2 tt -97.91 163.7 12.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.688 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -102.58 107.28 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.819 HD21 ' CE2' ' A' ' 48' ' ' PHE . 82.0 mt -93.19 87.66 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.01 146.0 25.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.1 m -56.56 128.83 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.81 -5.66 64.13 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.748 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.72 135.7 33.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.859 0.362 . . . . 0.0 111.18 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.637 HD11 ' HB3' ' A' ' 3' ' ' GLN . 17.9 tt -116.13 124.18 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.468 HD12 ' CD2' ' A' ' 20' ' ' LEU . 34.0 mt -116.04 138.91 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.198 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.89 119.67 21.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.796 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.476 HG21 ' CZ3' ' A' ' 37' ' ' TRP . 43.6 pt -84.62 136.24 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -104.49 -43.21 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -167.41 163.17 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -112.17 133.41 54.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 33' ' ' GLU . 12.4 p -73.6 -43.08 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -174.8 -177.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -76.85 74.22 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.97 -43.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.399 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -124.34 148.38 47.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.798 0.333 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.476 ' CZ3' HG21 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -126.66 157.44 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -123.34 143.76 49.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.05 -174.31 21.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.563 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -157.74 109.51 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.02 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -128.96 -69.57 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.37 26.65 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -127.7 142.68 51.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.814 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tt -125.02 124.84 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.35 -172.2 12.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mp -137.97 148.73 45.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.819 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.44 163.41 11.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.95 126.5 21.86 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.6 2.2 . . . . 0.0 112.288 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 2.7 p -64.38 -20.02 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -62.45 -29.07 70.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.114 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' ' O ' ' A' ' 53' ' ' VAL . 10.0 m-85 -70.46 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.787 ' HA ' HG22 ' A' ' 6' ' ' VAL . 26.8 m -16.57 145.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.624 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -129.0 124.9 36.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.377 . . . . 0.0 111.374 179.067 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.411 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -87.28 136.57 32.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.971 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -141.44 148.13 39.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 96.9 m -148.17 144.24 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -120.12 126.56 51.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.055 0.455 . . . . 0.0 111.192 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.851 HG21 ' HB3' ' A' ' 20' ' ' LEU . 4.5 t -61.61 143.96 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.306 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.773 HD23 ' HG3' ' A' ' 54' ' ' LYS . 2.6 pp -92.52 -22.13 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.277 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.735 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -114.71 178.86 4.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.45 155.62 17.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 60.1 t80 -146.39 144.18 29.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.74 HG22 ' HG2' ' A' ' 13' ' ' GLN . 16.3 mm -112.73 106.92 55.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.99 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.78 -46.1 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.448 2.099 . . . . 0.0 112.451 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.74 ' HG2' HG22 ' A' ' 11' ' ' ILE . 36.0 mm-40 54.75 27.28 8.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.17 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -160.86 152.29 19.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -32.06 73.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.509 ' OD2' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -72.96 -29.22 62.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -99.02 138.99 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.663 HD23 ' N ' ' A' ' 19' ' ' GLU . 1.8 tt -97.92 163.58 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.663 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -92.65 107.19 19.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.804 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.851 ' HB3' HG21 ' A' ' 6' ' ' VAL . 2.9 mp -93.52 95.22 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -98.75 153.26 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 7' ' ' LEU . 21.8 t -57.93 128.81 19.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.92 83.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -86.15 128.22 34.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.998 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.7 tt -108.13 124.13 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 mp -110.29 137.85 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.8 119.54 24.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -86.6 117.19 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.036 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -91.9 -45.92 8.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.68 164.62 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HG2' ' CE2' ' A' ' 37' ' ' TRP . 2.2 mp0 -108.0 121.07 44.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.809 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.1 -41.58 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.28 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 177.68 -178.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -70.76 116.85 11.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.08 -27.24 10.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.406 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -133.25 135.3 44.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.436 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 5.0 m0 -123.22 161.59 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.414 ' HA ' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -111.45 131.53 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.57 -176.6 14.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -163.72 109.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -63.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -143.68 -61.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.8 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.36 22.58 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.022 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -127.75 130.41 48.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.11 117.63 34.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.45 141.05 9.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.53 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.509 HD12 ' OD2' ' A' ' 16' ' ' ASP . 2.6 mt -102.25 152.09 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.814 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.607 ' CD2' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -164.03 167.67 10.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.41 120.97 9.02 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 72.7 p -65.34 -20.35 66.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.225 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -62.38 -30.17 71.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.1 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.572 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.9 m-85 -67.54 -82.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.821 ' HA ' HG22 ' A' ' 6' ' ' VAL . 9.8 m -16.5 145.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.773 ' HG3' HD23 ' A' ' 7' ' ' LEU . 5.5 tttt -120.8 143.83 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.464 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -84.52 136.6 33.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 56' ' ' LEU . 5.9 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.808 0.337 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -129.78 152.91 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -147.9 154.67 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 1.2 ttpt -117.41 126.32 52.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 20' ' ' LEU . 4.8 t -61.72 143.69 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.426 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.988 HD23 ' HG3' ' A' ' 54' ' ' LYS . 4.3 pp -95.81 -24.94 16.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.252 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.687 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -114.77 178.95 4.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.951 0.405 . . . . 0.0 111.125 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -110.1 144.28 38.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.455 ' HB3' HD12 ' A' ' 20' ' ' LEU . 89.0 t80 -127.53 144.03 51.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.3 mp -110.69 106.95 58.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.94 145.01 42.76 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.427 2.085 . . . . 0.0 112.189 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -119.06 -40.34 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -115.33 170.05 8.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.51 -23.48 67.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.14 38.1 1.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -141.68 128.67 20.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.501 HD23 ' H ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -97.88 156.42 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.501 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.3 tm-20 -90.66 107.38 19.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.747 ' HB3' HG21 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -84.85 84.15 7.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -79.26 142.46 36.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.535 HG22 ' C ' ' A' ' 8' ' ' PHE . 24.7 t -65.17 130.45 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.56 -5.75 58.74 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.913 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.61 143.45 30.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.4 mt -102.03 139.45 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.711 HG21 ' HZ ' ' A' ' 48' ' ' PHE . 14.2 mt -125.13 127.75 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -96.52 119.59 35.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.795 HG23 ' O ' ' A' ' 38' ' ' SER . 3.9 mp -81.2 136.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -105.62 -43.86 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -150.24 148.14 28.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -83.64 118.61 23.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.813 HG21 HD23 ' A' ' 47' ' ' LEU . 31.9 t -63.22 -69.19 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -149.71 -177.8 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -74.42 64.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.54 -43.13 0.26 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -106.3 135.0 48.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.419 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.4 m0 -112.03 161.37 16.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.795 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -110.07 157.42 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.98 163.54 33.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.588 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.1 m -116.65 152.76 33.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.53 56.9 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.2 t30 59.93 89.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 60.85 19.79 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -127.75 108.82 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.01 138.71 38.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.454 ' N ' HD12 ' A' ' 18' ' ' LEU . . . 175.35 159.58 21.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.558 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.813 HD23 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -108.92 158.36 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.711 ' HZ ' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -166.37 162.66 11.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 18.1 Cg_endo -59.54 126.91 21.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.419 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 96.4 p -65.15 -19.82 66.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.451 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -25.01 67.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.312 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.58 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.8 m-85 -72.11 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.715 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.72 ' HA ' HG22 ' A' ' 6' ' ' VAL . 27.1 m -16.86 145.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.988 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -125.12 128.04 47.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.409 . . . . 0.0 111.572 179.283 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.96 136.49 48.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.593 0.235 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -152.34 143.87 23.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.892 0.377 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.8 m -148.45 162.81 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -127.18 125.75 41.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.078 0.466 . . . . 0.0 111.175 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.79 HG21 ' HB3' ' A' ' 20' ' ' LEU . 4.2 t -64.67 143.91 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.523 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.878 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.3 pp -98.57 -26.4 14.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.878 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -114.75 178.87 4.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.881 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.43 148.77 22.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.462 ' CG ' HD12 ' A' ' 20' ' ' LEU . 82.0 t80 -126.07 143.53 51.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 mt -125.34 106.93 27.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.61 167.75 23.67 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.542 2.162 . . . . 0.0 112.37 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.59 26.07 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -160.98 163.03 32.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.03 -20.44 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.26 32.14 2.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.083 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -143.94 126.49 15.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.91 152.51 19.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -85.94 107.26 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.79 ' HB3' HG21 ' A' ' 6' ' ' VAL . 2.5 mt -81.87 101.28 10.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 147.3 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 t -62.74 128.84 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.1 -5.87 81.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.929 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.44 144.5 26.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.4 mt -113.87 143.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.987 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.17 139.1 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.82 121.41 38.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 38' ' ' SER . 3.6 mp -74.45 130.33 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -92.83 -45.97 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -162.82 129.67 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.31 148.78 29.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.69 -58.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -166.17 178.95 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.81 74.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.51 -66.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -103.86 136.8 42.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -123.26 161.62 24.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 28' ' ' ILE . 2.4 m -110.01 155.3 22.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.71 157.67 28.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.573 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.71 141.61 34.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.72 -51.86 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.53 -73.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.31 -18.55 11.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.246 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.57 146.61 24.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.868 0.366 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.19 123.11 25.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.01 167.46 27.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.543 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mp -121.7 158.82 27.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.776 ' CZ ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.34 167.15 8.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.94 122.11 11.16 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.54 2.16 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.6 t -64.72 -19.69 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.236 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.19 -28.04 69.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' O ' ' A' ' 53' ' ' VAL . 4.4 m-85 -71.96 -87.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.74 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.752 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.3 m -16.65 145.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.603 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -120.83 123.09 41.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.393 . . . . 0.0 111.536 179.351 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.01 134.42 56.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.5 pp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.9 ttm105 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -134.89 153.88 51.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -148.09 147.77 29.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.466 ' HB3' HG12 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -117.54 126.76 53.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.993 0.425 . . . . 0.0 111.031 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.773 HG22 ' HA ' ' A' ' 53' ' ' VAL . 22.3 t -61.09 143.87 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.326 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.3 pp -93.78 -24.07 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.677 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.859 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -114.42 178.9 4.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.888 0.375 . . . . 0.0 111.098 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -100.67 157.36 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.417 ' CD2' HD12 ' A' ' 20' ' ' LEU . 44.7 t80 -148.74 144.14 26.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.6 mm -119.47 107.03 41.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.01 -167.8 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.441 2.094 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -168.36 -43.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -84.93 160.99 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.05 -29.13 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.15 44.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -143.87 126.15 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 4.0 tp -101.6 163.74 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -90.5 107.34 19.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.851 HD11 ' HB2' ' A' ' 48' ' ' PHE . 5.1 mt -83.91 79.57 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 142.39 36.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 ' C ' ' A' ' 8' ' ' PHE . 26.2 t -64.59 128.73 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.43 -5.89 80.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.911 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.12 130.36 35.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.834 0.317 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.466 HG12 ' HB3' ' A' ' 5' ' ' LYS . 7.3 mt -95.95 130.27 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.41 HG22 ' HA3' ' A' ' 39' ' ' GLY . 3.0 mp -127.45 119.8 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.743 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -74.13 119.3 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.183 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.0 pt -86.95 125.12 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.72 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -104.86 -46.05 4.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.446 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -124.67 148.13 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 111.201 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.61 107.03 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.639 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.56 -50.83 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.083 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.62 -172.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -82.94 58.07 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.88 -47.44 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.351 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -126.55 123.38 37.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 110.755 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.444 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 27.6 m0 -113.06 158.44 20.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.87 144.51 42.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.814 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -154.12 179.07 30.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.609 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -134.85 140.4 45.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.82 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -78.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -116.5 -17.51 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.493 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -178.38 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.748 0.309 . . . . 0.0 111.21 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -86.48 138.26 31.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.97 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mp -103.41 147.02 27.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.56 176.1 27.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.349 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.18 148.66 51.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.851 ' HB2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.64 167.9 7.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.441 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 39.8 Cg_exo -57.69 121.01 9.29 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.474 2.116 . . . . 0.0 112.238 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 21.0 p -65.13 -19.88 66.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.328 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -62.29 -21.4 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.343 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' O ' ' O ' ' A' ' 53' ' ' VAL . 5.9 m-85 -77.33 -78.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.773 ' HA ' HG22 ' A' ' 6' ' ' VAL . 5.8 m -16.32 144.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.804 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -134.43 117.87 16.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.334 179.177 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.03 136.62 56.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -140.38 144.21 36.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -148.03 148.51 30.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 2.8 ttpt -117.16 125.55 51.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.516 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.79 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.3 t -66.68 143.8 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.514 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.792 HD12 ' N ' ' A' ' 8' ' ' PHE . 3.6 pp -96.47 -25.1 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.95 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.792 ' N ' HD12 ' A' ' 7' ' ' LEU . 1.3 m-85 -114.75 178.93 4.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.793 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -104.91 155.34 19.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -134.38 143.39 47.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.539 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.6 mp -119.33 106.95 41.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.249 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -78.05 164.16 27.49 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.528 2.152 . . . . 0.0 112.38 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.91 33.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -151.17 173.36 14.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.74 -31.26 71.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.761 ' OD2' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -114.14 56.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -143.3 121.52 12.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.521 HD13 ' HA3' ' A' ' 46' ' ' GLY . 2.0 tp -99.56 163.66 12.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -105.92 107.28 18.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.821 HD11 ' CG ' ' A' ' 48' ' ' PHE . 5.3 mt -91.34 118.69 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -97.76 138.67 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.755 HG22 ' C ' ' A' ' 8' ' ' PHE . 19.4 t -63.69 128.85 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.97 -5.76 76.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.903 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -98.27 154.12 18.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.404 HG12 ' HB2' ' A' ' 5' ' ' LYS . 6.8 mt -106.84 142.87 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mp -130.28 132.29 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.27 124.98 33.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.575 HD12 ' H ' ' A' ' 28' ' ' ILE . 3.7 mp -73.47 129.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -96.43 -39.76 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.37 131.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' OE2' ' CZ2' ' A' ' 37' ' ' TRP . 5.3 tt0 -75.9 117.01 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.24 -66.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -162.52 -177.37 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.73 76.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.82 -43.22 0.55 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -109.93 132.75 53.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.409 ' CD1' ' OG ' ' A' ' 50' ' ' SER . 4.6 m0 -120.29 161.59 20.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.7 t -110.41 157.46 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.47 141.91 8.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.6 m -111.62 137.01 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.1 119.52 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 62.4 41.55 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 61.96 32.51 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.61 127.45 43.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.12 146.19 30.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.521 ' HA3' HD13 ' A' ' 18' ' ' LEU . . . -161.47 -173.18 29.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.761 HD13 ' OD2' ' A' ' 16' ' ' ASP . 4.5 mp -135.4 148.79 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.821 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -165.32 157.71 13.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.73 137.15 78.43 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.641 2.227 . . . . 0.0 112.424 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.409 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -65.29 -19.46 65.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.312 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -62.12 -17.78 58.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.397 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.581 ' O ' ' O ' ' A' ' 53' ' ' VAL . 14.3 m-85 -82.53 -93.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.642 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.79 ' HA ' HG22 ' A' ' 6' ' ' VAL . 6.9 m -16.81 144.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.747 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -133.44 116.52 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.959 0.409 . . . . 0.0 111.469 179.176 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.66 136.52 49.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.976 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -135.94 144.42 45.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 m -146.96 142.86 27.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HB2' HD13 ' A' ' 25' ' ' ILE . 13.7 ttpp -117.14 126.25 52.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 0.0 111.304 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.703 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.4 t -62.66 143.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.294 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.728 HD12 ' N ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -95.65 -23.32 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.368 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.728 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -119.21 178.94 4.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.889 0.376 . . . . 0.0 111.173 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.576 ' HG3' HG12 ' A' ' 22' ' ' VAL . 3.6 mt-10 -107.36 142.54 37.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.404 ' CB ' HD12 ' A' ' 20' ' ' LEU . 71.3 t80 -130.26 144.08 51.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.1 tt -117.7 111.95 39.14 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.99 172.68 14.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.361 2.04 . . . . 0.0 112.249 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -152.88 26.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -161.0 162.73 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -62.85 -28.71 70.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -97.92 31.12 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -130.83 125.51 33.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.773 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -97.82 161.69 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -102.33 107.24 18.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.844 HD11 ' HB2' ' A' ' 48' ' ' PHE . 1.9 mt -79.68 86.03 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.624 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.24 127.3 31.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.576 HG12 ' HG3' ' A' ' 9' ' ' GLU . 10.7 p -59.32 132.7 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.985 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.27 -5.82 82.7 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.754 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -93.53 141.63 28.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 5' ' ' LYS . 25.6 mm -95.95 124.24 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.478 HG23 HD12 ' A' ' 41' ' ' LEU . 4.1 mp -116.33 138.0 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.008 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.2 119.66 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.607 HG21 ' CZ3' ' A' ' 37' ' ' TRP . 19.5 pt -86.57 129.02 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.995 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -110.92 -46.0 3.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.05 145.83 38.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -100.49 113.74 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.739 HG21 HD21 ' A' ' 47' ' ' LEU . 24.9 t -60.14 -67.42 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -172.17 -178.08 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.61 75.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.27 -28.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.535 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -135.33 139.9 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.607 ' CZ3' HG21 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -124.91 156.0 38.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.04 135.36 54.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -155.99 -172.32 23.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -149.94 135.35 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.8 mp -100.56 -74.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -132.2 81.7 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.7 t30 60.61 24.07 13.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.026 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -127.67 115.6 18.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.28 143.96 32.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.438 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -168.72 -160.71 17.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.739 HD21 HG21 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -137.32 154.45 50.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.843 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.844 ' HB2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.44 166.29 9.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.7 121.05 9.22 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.606 2.204 . . . . 0.0 112.218 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.2 p -61.7 -20.77 63.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -62.47 -30.26 71.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' O ' ' O ' ' A' ' 53' ' ' VAL . 2.8 m-85 -65.42 -90.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.72 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.703 ' HA ' HG22 ' A' ' 6' ' ' VAL . 31.3 m -16.9 145.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.655 ' HD2' HD23 ' A' ' 7' ' ' LEU . 1.1 ttpt -130.08 116.68 18.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.398 . . . . 0.0 111.635 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 136.3 37.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -146.98 144.28 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.2 m -145.95 141.56 27.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.654 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -117.04 126.25 52.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 111.481 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.848 HG22 ' HA ' ' A' ' 53' ' ' VAL . 6.0 t -66.28 144.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.143 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.772 HD11 ' HG3' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -91.25 -30.61 16.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.979 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -114.69 178.96 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.161 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.05 157.47 17.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.465 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 56.5 t80 -134.04 144.09 48.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.7 mm -104.4 106.86 55.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.18 166.63 27.41 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.443 2.096 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.2 36.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -140.59 165.36 27.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -30.56 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.91 64.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -140.57 123.89 16.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.0 tp -97.94 154.97 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.05 107.27 19.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.785 ' HB3' HG21 ' A' ' 6' ' ' VAL . 24.5 mt -87.74 87.72 7.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 158.36 27.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 7' ' ' LEU . 9.8 p -68.86 128.78 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.25 -5.73 83.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.877 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -79.98 133.27 36.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.0 111.099 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.607 ' O ' HD12 ' A' ' 41' ' ' LEU . 20.4 mm -96.13 124.14 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.544 HD13 ' O ' ' A' ' 25' ' ' ILE . 25.4 mm -129.39 130.37 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.279 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.75 126.52 41.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 38' ' ' SER . 3.3 mt -68.78 136.05 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -109.42 -30.33 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -161.08 129.65 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -93.33 118.39 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.585 HG12 ' HG2' ' A' ' 33' ' ' GLU . 39.0 t -66.2 -72.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.585 ' HG2' HG12 ' A' ' 32' ' ' VAL . 4.1 mm-40 -137.9 -69.24 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -169.47 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.15 -27.46 52.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.368 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.411 ' CZ3' ' HG3' ' A' ' 49' ' ' PRO . 72.6 m95 -119.06 115.92 25.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.664 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.432 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 16.6 m0 -113.38 161.8 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.9 m -109.85 157.5 19.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.774 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -151.16 166.04 30.44 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.4 m -163.5 101.59 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 25' ' ' ILE . 7.2 tt -73.53 -68.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -140.63 -62.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -131.93 31.08 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -127.44 116.29 20.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mp -117.42 129.85 56.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.85 167.42 39.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.29 152.26 30.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -162.35 165.61 15.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HG3' ' CZ3' ' A' ' 36' ' ' TRP . 37.3 Cg_exo -57.76 126.58 22.2 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.616 2.211 . . . . 0.0 112.507 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 17.4 t -61.89 -19.77 63.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.197 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -62.05 -25.14 67.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.173 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' O ' ' A' ' 53' ' ' VAL . 24.8 m-85 -70.57 -91.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.612 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.848 ' HA ' HG22 ' A' ' 6' ' ' VAL . 5.6 m -16.79 145.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.772 ' HG3' HD11 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -137.24 116.47 12.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 111.715 179.314 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 135.96 57.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.773 0.32 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -137.75 151.46 48.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 m -145.66 147.22 31.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -119.88 126.75 51.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.039 0.447 . . . . 0.0 111.456 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.817 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.5 t -61.6 143.75 14.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.19 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.769 HD12 ' N ' ' A' ' 8' ' ' PHE . 3.6 pp -93.47 -23.1 18.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.043 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.769 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -114.85 179.04 4.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.928 0.394 . . . . 0.0 111.021 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.502 ' OE2' HG12 ' A' ' 22' ' ' VAL . 5.5 mm-40 -99.26 171.0 8.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -155.01 144.18 21.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.05 107.87 51.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.58 151.43 82.86 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.411 2.074 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.71 28.11 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.93 164.01 31.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.03 -30.16 70.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.08 31.76 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.5 127.47 47.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 12.4 tp -97.91 158.89 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.724 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -98.3 107.11 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.055 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 48' ' ' PHE . 2.8 mm? -73.97 105.05 5.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.4 129.96 39.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.799 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 7' ' ' LEU . 9.6 p -53.44 128.64 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.97 -5.84 84.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.718 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -90.45 133.01 35.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.786 0.327 . . . . 0.0 110.933 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -95.87 140.61 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.42 139.52 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.73 119.69 33.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.846 HG23 ' O ' ' A' ' 38' ' ' SER . 1.8 mp -81.56 136.06 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -94.79 -46.11 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.46 163.25 14.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -80.55 108.88 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.76 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.745 HG21 HD21 ' A' ' 47' ' ' LEU . 22.4 m -63.0 -46.65 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.495 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' N ' HG23 ' A' ' 32' ' ' VAL . 2.4 mm-40 -150.54 -175.85 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.053 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -87.69 53.21 2.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.42 -36.61 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.026 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.403 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 29.4 m95 -106.62 150.45 26.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.718 0.294 . . . . 0.0 110.447 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -122.63 161.72 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 111.089 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.846 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -109.82 157.53 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.892 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.64 162.67 29.15 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.643 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.96 131.25 30.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.727 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.06 95.37 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.105 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 63.03 66.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.216 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t30 56.5 31.7 19.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.292 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -114.55 132.42 56.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.757 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.5 133.67 55.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.97 167.66 38.12 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.375 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.745 HD21 HG21 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -126.1 148.47 49.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.786 ' CD2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.6 166.01 9.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.89 122.65 11.29 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.646 2.23 . . . . 0.0 112.347 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.0 t -65.26 -19.86 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.313 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -20.71 64.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.413 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.566 ' O ' ' O ' ' A' ' 53' ' ' VAL . 6.0 m-85 -78.07 -84.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.982 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.817 ' HA ' HG22 ' A' ' 6' ' ' VAL . 31.5 m -16.43 145.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.577 ' HD2' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -123.13 131.75 53.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.438 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.18 135.73 33.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.809 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.79 0.329 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.691 ' HB3' HD11 ' A' ' 28' ' ' ILE . 19.2 mtt180 61.88 149.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -145.73 144.05 30.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 m -148.14 142.12 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HB2' HD13 ' A' ' 25' ' ' ILE . 4.1 ttpt -119.58 126.23 50.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.05 0.452 . . . . 0.0 111.198 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.8 t -63.54 144.06 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.22 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.818 HD12 ' N ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -91.73 -26.72 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.406 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.818 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -127.27 178.97 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 111.071 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -94.59 153.84 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -126.91 144.12 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -118.4 106.84 44.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.025 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.74 153.14 29.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.51 2.14 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.23 -34.92 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -103.89 163.39 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -30.85 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 47' ' ' LEU . 12.1 m-20 -70.29 -13.43 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.306 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -99.07 134.28 42.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.879 0.371 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -98.33 163.67 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.547 ' N ' HD23 ' A' ' 18' ' ' LEU . 18.9 tt0 -98.47 107.26 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.997 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.612 ' HB3' HG21 ' A' ' 6' ' ' VAL . 4.7 mt -81.68 111.44 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.33 137.95 32.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 7' ' ' LEU . 9.9 p -67.03 128.67 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.11 -5.83 84.07 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.864 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' OD1' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -85.29 140.57 30.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.961 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 5' ' ' LYS . 21.3 mm -95.85 127.25 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.449 ' CD1' HD23 ' A' ' 20' ' ' LEU . 28.5 mt -124.32 127.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.1 119.61 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.691 HD11 ' HB3' ' A' ' 2' ' ' ARG . 38.7 pt -86.55 133.06 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -104.05 -45.79 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -162.73 142.47 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 107.79 19.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.2 t -60.07 -41.01 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -144.97 172.85 12.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -29.97 68.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.15 -36.54 3.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -100.9 121.52 41.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -116.68 161.48 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.9 m -111.79 157.39 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.31 176.22 40.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 m -143.61 115.8 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.438 HD21 ' OD1' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -79.08 -76.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -115.68 -73.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.6 26.0 2.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -127.69 147.2 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.01 141.68 51.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.483 ' HA3' HD12 ' A' ' 18' ' ' LEU . . . -168.37 -172.95 35.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 16' ' ' ASP . 0.8 OUTLIER -130.5 158.57 39.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.46 160.81 12.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.04 127.75 26.22 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.632 2.221 . . . . 0.0 112.409 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.13 -19.5 66.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.339 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -62.01 -24.82 67.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.355 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' O ' ' A' ' 53' ' ' VAL . 17.6 m-85 -76.76 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.677 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.716 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.5 m -16.72 145.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.52 116.68 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.905 0.383 . . . . 0.0 111.471 179.407 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -64.16 136.55 57.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.033 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -100.77 -72.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 60.13 110.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 mt -138.76 147.59 42.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -77.06 -55.49 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.913 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.781 0.324 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -147.75 148.92 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -151.18 149.71 29.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.8 m -148.17 149.5 32.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.537 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -117.03 126.2 52.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.146 0.498 . . . . 0.0 111.202 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.736 HG21 HD22 ' A' ' 20' ' ' LEU . 3.2 t -64.33 143.7 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.506 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.893 HD23 ' HG3' ' A' ' 54' ' ' LYS . 4.4 pp -95.22 -21.16 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.819 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.561 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -114.61 178.91 4.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.752 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -100.21 168.21 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -155.04 144.22 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 11' ' ' ILE . 1.3 tp -117.18 118.77 35.54 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.94 127.66 13.94 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.384 2.056 . . . . 0.0 112.334 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -39.08 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -89.83 167.43 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -37.13 83.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.23 48.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -140.41 126.38 19.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 163.69 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -93.99 107.27 19.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.885 HD11 ' CG ' ' A' ' 48' ' ' PHE . 7.3 mt -88.56 91.57 8.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -79.31 140.24 37.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.749 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.28 128.82 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.2 -5.8 65.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -93.56 126.64 38.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.8 0.333 . . . . 0.0 110.992 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 25' ' ' ILE . 16.6 tt -98.01 127.64 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.627 ' CD1' HD23 ' A' ' 20' ' ' LEU . 20.3 mt -120.73 138.57 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.22 119.58 24.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.8 pt -80.86 134.6 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.41 -46.16 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.38 164.78 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.132 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' NE1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -97.88 147.99 23.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.548 HG21 HD21 ' A' ' 47' ' ' LEU . 21.8 t -98.6 -62.54 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.14 -174.39 4.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -84.67 59.78 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.64 -41.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.528 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -127.0 132.7 50.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.438 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 10.7 m0 -113.08 161.66 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m -110.0 157.46 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.37 172.37 31.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -142.33 144.58 33.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -146.07 113.49 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.972 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.41 -83.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -145.55 16.57 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.237 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.85 128.5 45.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.774 0.321 . . . . 0.0 110.858 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 45' ' ' LEU . 2.0 pt? -121.78 137.77 54.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.17 165.58 27.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.381 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.548 HD21 HG21 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -110.54 148.63 31.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.904 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.885 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.48 167.21 8.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 33.0 Cg_exo -57.83 120.86 9.04 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.557 2.171 . . . . 0.0 112.373 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 13.7 p -65.31 -19.91 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.269 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -62.32 -22.7 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.281 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' ' O ' ' A' ' 53' ' ' VAL . 5.6 m-85 -76.64 -86.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.735 ' HA ' HG22 ' A' ' 6' ' ' VAL . 9.4 m -16.59 145.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.893 ' HG3' HD23 ' A' ' 7' ' ' LEU . 3.7 tttt -127.02 125.68 41.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.981 0.42 . . . . 0.0 111.561 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.83 136.63 38.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.938 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.41 97.82 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -95.87 169.52 9.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.4 mt -59.73 154.43 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.44 -44.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.1 m80 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.891 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 mtp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.843 0.354 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -87.93 114.66 24.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.614 ' HB3' HD11 ' A' ' 25' ' ' ILE . 55.3 mt-30 -130.56 151.81 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.419 ' HA ' HD23 ' A' ' 56' ' ' LEU . 19.4 m -148.01 148.35 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -128.25 126.99 41.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.051 0.453 . . . . 0.0 111.187 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.826 HG22 ' HA ' ' A' ' 53' ' ' VAL . 4.4 t -61.51 143.75 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.8 HD23 ' HG3' ' A' ' 54' ' ' LYS . 3.6 pp -96.35 -21.17 17.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.681 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -114.59 179.0 4.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 111.005 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -104.58 149.64 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -138.36 134.27 34.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.34 106.84 53.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.84 128.36 8.43 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -95.93 -30.35 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -100.88 154.93 18.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.32 -33.73 76.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -65.37 -18.06 65.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.257 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.02 141.57 31.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.852 0.358 . . . . 0.0 111.007 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.659 HD23 ' H ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -103.1 158.64 16.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.659 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.4 tt0 -89.21 109.13 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.66 ' HB3' HG21 ' A' ' 6' ' ' VAL . 3.1 mp -90.51 110.07 21.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -99.26 163.28 12.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -68.09 128.82 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' HA2' ' HE2' ' A' ' 5' ' ' LYS . . . 90.48 -5.89 82.42 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.881 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -79.5 132.73 36.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.002 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 3' ' ' GLN . 16.8 tt -113.26 124.17 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.468 HG22 ' HA3' ' A' ' 39' ' ' GLY . 3.7 mp -114.95 125.92 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.15 119.52 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.0 pt -86.56 136.16 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.27 -45.94 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.77 164.74 26.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 6.2 mt-10 -95.11 152.59 18.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 t -89.03 -66.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.91 -72.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -173.88 35.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.19 -51.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.333 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.743 ' HB3' HD13 ' A' ' 47' ' ' LEU . 16.2 m95 -101.38 131.15 47.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 110.61 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.44 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 6.3 m0 -111.96 159.74 18.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.025 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -110.06 135.72 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -147.1 177.63 25.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.542 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 m -132.58 127.31 34.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.38 30.44 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.8 t30 57.99 21.82 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 176.46 -43.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.727 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.528 ' HB3' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -99.42 145.29 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.22 123.32 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.589 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -172.1 160.0 31.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.584 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 36' ' ' TRP . 3.9 pp -107.54 161.89 14.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.49 167.74 7.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.048 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.86 124.6 16.37 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.64 2.227 . . . . 0.0 112.393 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.44 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 10.8 t -65.14 -19.68 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.251 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -25.62 67.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.168 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.556 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-85 -76.67 -85.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.727 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.826 ' HA ' HG22 ' A' ' 6' ' ' VAL . 27.2 m -16.54 145.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.8 ' HG3' HD23 ' A' ' 7' ' ' LEU . 10.0 tttt -122.8 120.15 32.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.313 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.86 136.58 57.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD21 HD12 ' A' ' 25' ' ' ILE . 3.6 mm? -67.65 104.55 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.99 95.36 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mp -140.45 127.54 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.26 117.13 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.839 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mtt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.89 0.376 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 59.76 79.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.522 ' HB3' HD11 ' A' ' 25' ' ' ILE . 14.5 mt-30 -141.05 151.0 43.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -146.03 140.63 26.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -117.28 126.17 52.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.199 0.523 . . . . 0.0 111.409 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.852 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -64.64 144.01 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.25 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.609 HD11 ' HG2' ' A' ' 54' ' ' LYS . 3.3 mt -97.27 -21.35 17.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.025 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.519 ' H ' HG12 ' A' ' 6' ' ' VAL . 11.2 m-85 -114.63 178.9 4.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.864 0.364 . . . . 0.0 111.018 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.78 161.45 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 60.6 t80 -149.84 144.06 25.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.9 mp -108.43 106.84 59.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.167 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -79.94 -44.97 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.473 2.116 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HG2' HG22 ' A' ' 11' ' ' ILE . 11.3 mm-40 54.65 29.69 11.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.87 152.87 19.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.05 -31.59 72.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.15 -35.89 74.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -99.54 134.59 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD11 ' HG3' ' A' ' 44' ' ' LYS . 5.7 tp -97.91 149.81 22.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -83.03 107.28 15.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.744 HD22 HG21 ' A' ' 6' ' ' VAL . 40.7 mt -87.41 84.04 7.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.769 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -79.29 143.96 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 7' ' ' LEU . 10.0 p -58.22 134.69 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.22 -5.83 75.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.765 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.48 130.83 44.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.795 0.331 . . . . 0.0 111.0 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.522 HD11 ' HB3' ' A' ' 3' ' ' GLN . 2.2 tt -106.43 125.47 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.567 HD13 ' CD2' ' A' ' 20' ' ' LEU . 3.5 mp -118.75 139.47 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -93.37 126.18 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 ' H ' ' A' ' 28' ' ' ILE . 1.9 mp -68.8 136.14 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -105.41 -36.22 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.37 129.66 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -77.33 122.82 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.628 HG12 ' HG3' ' A' ' 33' ' ' GLU . 24.3 t -70.64 -62.73 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.628 ' HG3' HG12 ' A' ' 32' ' ' VAL . 15.5 mt-10 -136.88 -159.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.688 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -92.34 30.63 1.44 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.869 0.366 . . . . 0.0 110.987 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.41 -43.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.208 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -95.64 131.28 42.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.791 0.329 . . . . 0.0 110.699 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.429 ' CE3' HG12 ' A' ' 28' ' ' ILE . 8.8 m0 -114.43 161.78 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.057 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 28' ' ' ILE . 8.0 t -109.86 157.53 19.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.59 151.99 23.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.0 m -136.79 111.76 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.37 87.24 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.46 -73.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -144.17 31.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' HG3' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -120.2 112.72 19.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.63 144.99 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 179.83 163.17 30.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.7 mt -123.97 148.79 46.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.649 ' CD1' HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -162.59 165.6 15.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.94 124.23 15.51 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.555 2.17 . . . . 0.0 112.34 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.405 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 16.9 t -64.01 -19.89 65.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.39 -28.69 69.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' O ' ' O ' ' A' ' 53' ' ' VAL . 16.7 m-85 -66.86 -88.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.712 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.852 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.5 m -16.73 145.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.609 ' HG2' HD11 ' A' ' 7' ' ' LEU . 6.7 tptt -135.24 117.5 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.075 0.464 . . . . 0.0 111.748 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.13 136.57 39.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.035 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.16 96.27 10.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.43 179.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.6 mt -101.1 -178.73 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -89.67 126.78 35.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.826 0.346 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.65 ' HD2' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -93.07 101.39 13.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.626 ' CB ' HD11 ' A' ' 25' ' ' ILE . 19.7 mt-30 -128.04 157.37 40.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 14.5 m -145.77 141.16 27.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -117.23 126.06 52.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.262 0.553 . . . . 0.0 111.432 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.823 HG22 ' HA ' ' A' ' 53' ' ' VAL . 18.2 t -62.52 143.94 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.458 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.717 HD11 ' HG2' ' A' ' 54' ' ' LYS . 6.2 mt -94.38 -32.84 13.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.498 ' C ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -114.51 178.85 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.963 -179.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.582 ' HG3' HG23 ' A' ' 22' ' ' VAL . 1.3 tt0 -99.73 165.38 11.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 33.4 t80 -143.15 143.62 31.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mm -111.23 106.75 57.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.67 157.79 28.24 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.473 2.116 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.5 23.29 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.87 153.69 21.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.779 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -29.91 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.01 -14.75 61.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.336 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.93 134.33 41.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.854 0.359 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -97.89 161.16 13.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -97.72 107.17 19.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' A' ' 6' ' ' VAL . 3.1 mm? -73.04 99.79 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.759 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.28 127.97 32.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.582 HG23 ' HG3' ' A' ' 9' ' ' GLU . 21.7 t -59.31 128.74 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.67 83.12 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.938 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.54 132.99 44.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.921 0.391 . . . . 0.0 111.036 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 3' ' ' GLN . 12.2 tt -97.95 141.07 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.446 HG22 ' H ' ' A' ' 40' ' ' THR . 2.1 mp -123.82 136.63 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.09 119.47 22.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.65 HD11 ' HD2' ' A' ' 2' ' ' ARG . 16.8 pt -86.76 123.02 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -90.95 -46.08 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -167.39 164.68 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.124 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 37' ' ' TRP . 33.8 tt0 -92.33 128.18 38.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 33' ' ' GLU . 12.2 p -74.59 -44.37 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 32' ' ' VAL . 2.6 pt-20 -175.98 174.21 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.98 115.62 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.0 -25.88 13.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.628 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -128.14 154.1 46.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.968 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.544 ' HZ3' HD12 ' A' ' 28' ' ' ILE . 2.5 m95 -141.27 161.49 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -110.05 150.57 28.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.61 167.51 29.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.446 ' H ' HG22 ' A' ' 26' ' ' ILE . 4.5 m -155.25 128.81 8.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.838 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.32 -49.46 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -178.46 -49.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -119.55 -31.15 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -91.8 141.58 28.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.998 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 tp -133.18 141.64 48.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.791 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.6 -175.46 40.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.561 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -129.6 155.76 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.38 167.73 8.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.85 121.43 10.0 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.554 2.17 . . . . 0.0 112.338 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.406 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 10.0 t -61.13 -19.87 62.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -62.3 -27.11 68.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.116 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' O ' ' O ' ' A' ' 53' ' ' VAL . 9.0 m-85 -70.03 -89.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.799 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.823 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.7 m -16.64 145.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 113.034 0.754 . . . . 0.0 113.034 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.717 ' HG2' HD11 ' A' ' 7' ' ' LEU . 2.3 tptm -140.98 116.95 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 0.0 112.153 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 7.4 tt0 -68.1 133.13 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.876 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.8 mt -61.76 179.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -154.46 123.55 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.12 -173.06 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.99 -31.19 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.803 0.335 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.41 36.68 20.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.437 ' HG3' HD11 ' A' ' 25' ' ' ILE . 27.7 pt20 -130.37 165.04 23.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.42 ' C ' HD12 ' A' ' 25' ' ' ILE . 9.1 m -147.36 153.0 39.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -124.94 126.8 46.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.061 0.458 . . . . 0.0 111.327 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 53' ' ' VAL . 5.4 t -61.45 143.91 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.451 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.882 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.6 pp -92.73 -24.49 18.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.306 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.882 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -114.83 178.97 4.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.923 0.392 . . . . 0.0 111.137 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.77 164.36 13.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -151.05 141.55 22.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.87 116.13 38.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.03 149.11 28.39 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.448 2.099 . . . . 0.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -103.78 -33.91 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -133.14 174.33 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.99 -32.22 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.8 -30.39 70.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -99.07 138.02 36.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.552 HD13 ' HA3' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -108.16 157.13 18.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -90.7 107.21 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.826 HD11 ' CG ' ' A' ' 48' ' ' PHE . 37.9 mt -88.39 122.74 32.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.013 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -97.14 152.34 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.656 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 7' ' ' LEU . 4.4 m -65.73 128.48 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.095 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.97 -5.7 84.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.989 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.02 132.64 34.01 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 111.169 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -102.19 140.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.613 HG13 HD12 ' A' ' 41' ' ' LEU . 3.4 mp -131.99 127.75 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.164 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.74 119.66 22.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 38' ' ' SER . 2.3 mp -69.2 136.19 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.57 -38.84 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.37 133.15 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -76.57 142.33 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.48 -50.82 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -176.69 176.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.58 66.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.87 -41.12 0.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -120.97 135.01 55.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.439 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 0.8 OUTLIER -124.77 159.55 30.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -110.06 157.47 19.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.75 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.07 151.72 22.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.621 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -123.47 131.67 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.723 0.296 . . . . 0.0 110.737 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.613 HD12 HG13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -123.2 82.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.197 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 56.48 85.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.249 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.5 m120 52.61 27.73 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.229 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.15 124.49 41.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.97 145.48 29.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.552 ' HA3' HD13 ' A' ' 18' ' ' LEU . . . -169.78 161.04 34.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.425 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mt -134.2 148.62 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.826 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.5 164.5 10.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.44 130.34 28.08 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.607 2.205 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.439 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 63.6 p -65.1 -19.82 66.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.23 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -62.29 -28.15 69.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.097 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.3 m-85 -77.38 -82.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.784 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.777 ' HA ' HG22 ' A' ' 6' ' ' VAL . 6.9 m -16.51 145.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.823 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.69 118.34 27.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.281 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -87.27 136.54 32.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.967 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.6 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.5 pp -121.77 91.33 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -147.48 36.53 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.15 140.09 19.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -122.45 163.92 18.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.924 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.66 118.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -149.02 153.71 38.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 55.8 m -141.61 161.69 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 7.2 ttpt -123.71 126.27 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.421 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.729 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -62.9 143.94 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.35 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.855 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.1 pp -91.92 -22.71 19.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.302 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.855 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -119.47 178.98 4.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.875 0.369 . . . . 0.0 111.094 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.76 142.22 27.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.769 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -124.4 143.96 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.002 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.63 123.11 25.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.37 157.01 25.68 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.427 2.085 . . . . 0.0 112.47 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -136.68 -47.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -83.96 171.51 12.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -66.43 -31.34 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -96.65 41.85 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -130.48 123.49 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER -97.99 152.28 19.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.784 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.631 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.8 tt0 -86.0 107.28 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.756 HD13 ' CE2' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -101.92 93.81 5.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -79.34 153.24 29.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.8 128.78 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 -5.81 63.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.829 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.62 134.3 34.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.2 mt -99.82 139.96 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.681 HG12 HD11 ' A' ' 20' ' ' LEU . 3.5 mp -133.23 126.63 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.71 121.83 27.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -86.6 136.17 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.019 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.8 -46.01 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -167.35 164.57 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.0 152.44 29.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.78 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.864 HG21 HD21 ' A' ' 47' ' ' LEU . 17.5 t -119.23 -65.62 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.305 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.659 ' OE2' HG12 ' A' ' 32' ' ' VAL . 3.1 mp0 -120.68 161.56 21.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.008 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.79 112.62 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.0 19.93 60.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.424 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -147.13 120.83 9.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.792 0.33 . . . . 0.0 110.638 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -111.91 160.78 17.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.043 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.07 157.44 19.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.455 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -159.74 172.71 36.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.545 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.1 m -135.15 154.62 51.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -124.45 -74.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -141.0 -58.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.83 19.71 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -127.77 133.94 49.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.765 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.6 tp -132.87 137.19 46.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.711 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -175.65 177.08 47.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.864 HD21 HG21 ' A' ' 32' ' ' VAL . 6.7 mt -112.62 148.75 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.756 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -156.27 164.21 22.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.802 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.58 121.06 9.25 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.595 2.197 . . . . 0.0 112.37 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -19.67 65.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.216 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -62.11 -26.32 68.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.172 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' O ' ' O ' ' A' ' 53' ' ' VAL . 7.3 m-85 -71.76 -86.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.746 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.729 ' HA ' HG22 ' A' ' 6' ' ' VAL . 19.1 m -16.66 145.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.804 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.87 126.33 46.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.36 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.12 136.6 50.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.043 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.94 -174.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.38 -36.41 60.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 mp 58.3 -178.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -140.48 147.62 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.919 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.94 128.38 36.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -148.72 144.45 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HA ' HD23 ' A' ' 56' ' ' LEU . 17.0 m -147.76 143.03 27.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.637 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 1.4 tmmm? -121.38 126.47 49.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.165 0.507 . . . . 0.0 111.326 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.3 t -63.51 143.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.349 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.941 HD23 ' HG3' ' A' ' 54' ' ' LYS . 3.7 pp -95.57 -21.92 17.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.104 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.706 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -116.77 178.98 4.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.829 0.347 . . . . 0.0 110.829 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -107.46 154.03 21.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -137.56 144.25 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.43 107.04 47.71 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -78.66 -167.14 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.574 2.182 . . . . 0.0 112.274 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -158.18 -42.09 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -94.39 166.67 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.351 . . . . 0.0 111.068 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.55 -19.08 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.33 29.46 2.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.785 0.326 . . . . 0.0 111.056 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -143.93 121.51 11.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.746 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.524 HD23 ' HE2' ' A' ' 48' ' ' PHE . 34.6 tp -97.89 151.52 20.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.62 107.35 18.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.686 HD21 ' CE2' ' A' ' 48' ' ' PHE . 41.3 mt -80.04 110.65 15.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -91.22 142.63 27.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.4 HG12 ' CA ' ' A' ' 8' ' ' PHE . 4.8 m -63.75 128.78 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.01 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.41 -5.69 83.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.851 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.76 128.31 36.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.829 0.347 . . . . 0.0 111.021 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.752 HD12 HD21 ' A' ' 56' ' ' LEU . 3.3 tt -97.72 124.19 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.518 HG22 ' HA3' ' A' ' 39' ' ' GLY . 3.7 mp -110.38 123.12 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -74.19 119.56 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 38' ' ' SER . 14.8 pt -86.6 122.41 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -93.94 -44.84 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -157.6 163.3 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 125.91 37.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.562 HG13 ' HB2' ' A' ' 38' ' ' SER . 13.9 m -72.97 -37.27 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 32' ' ' VAL . 9.3 pt-20 -178.12 -178.94 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.54 102.29 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.77 -54.39 0.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -99.39 139.74 34.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.703 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -118.22 161.39 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.562 ' HB2' HG13 ' A' ' 32' ' ' VAL . 29.6 t -117.91 155.6 29.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.518 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -157.08 175.1 34.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.538 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.58 167.32 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.793 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.63 -53.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.404 ' ND2' ' O ' ' A' ' 42' ' ' ASN . 1.4 p-10 -166.16 82.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 60.61 21.52 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.68 118.34 23.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.73 146.17 33.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.723 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -166.34 169.12 40.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -127.14 153.52 45.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.686 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.35 164.21 11.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.06 122.8 12.33 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.608 2.205 . . . . 0.0 112.259 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 t -64.37 -20.37 66.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -62.42 -26.82 68.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-85 -72.95 -84.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.788 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.785 ' HA ' HG22 ' A' ' 6' ' ' VAL . 16.6 m -16.56 145.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.941 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -125.59 116.67 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.412 179.184 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.8 136.52 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.752 HD21 HD12 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -118.31 120.36 37.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -101.83 86.06 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 mp -148.99 164.55 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.6 113.84 26.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.926 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 mtm . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.809 0.338 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 60.17 89.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -147.14 147.29 30.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.3 m -148.04 149.74 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -117.08 126.48 52.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 111.226 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.732 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -61.84 143.75 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.312 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.843 HD23 ' HG3' ' A' ' 54' ' ' LYS . 3.8 pp -96.63 -21.46 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.157 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.506 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -118.74 178.96 4.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.849 0.356 . . . . 0.0 111.01 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.36 150.16 27.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.744 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.497 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 44.4 t80 -132.99 144.17 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.018 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 mm -116.98 106.96 46.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.85 155.48 48.6 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.457 2.105 . . . . 0.0 112.425 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -107.55 -31.2 8.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.793 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -118.57 167.59 11.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -30.41 70.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -63.49 -23.86 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -99.02 134.62 41.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.992 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD13 ' H ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -97.96 154.78 17.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.49 ' H ' HD13 ' A' ' 18' ' ' LEU . 2.3 tt0 -92.64 107.58 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.647 HD21 ' CG ' ' A' ' 48' ' ' PHE . 3.4 mm? -68.7 106.77 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -82.97 124.69 30.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.73 128.86 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.37 -5.76 83.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.26 133.93 38.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.847 0.356 . . . . 0.0 111.136 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.62 HD12 HD21 ' A' ' 56' ' ' LEU . 1.9 tt -96.95 124.18 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.99 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.554 HG12 HD11 ' A' ' 41' ' ' LEU . 2.1 mt -111.02 137.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -94.59 119.85 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 38' ' ' SER . 2.4 mt -78.01 136.21 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -97.21 -46.11 6.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -167.45 148.06 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.17 151.57 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.717 HG21 HD23 ' A' ' 47' ' ' LEU . 21.5 t -117.04 -57.89 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.213 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.486 ' OE2' HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -143.76 165.76 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.51 114.56 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.663 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.68 -20.85 47.83 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.45 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -106.55 109.46 21.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 11.6 m0 -112.03 161.8 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.03 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.791 ' O ' HG23 ' A' ' 28' ' ' ILE . 1.5 t -109.81 157.5 19.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.996 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.52 164.64 30.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.0 m -118.92 136.02 54.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HG12 ' A' ' 26' ' ' ILE . 22.3 mt -145.93 94.75 2.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m120 67.77 60.85 0.44 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.21 25.73 11.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.357 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -127.73 130.77 49.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mp -104.5 124.29 49.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.481 ' HA3' HD23 ' A' ' 18' ' ' LEU . . . -137.63 143.05 14.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.34 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.717 HD23 HG21 ' A' ' 32' ' ' VAL . 1.1 mp -102.17 148.57 25.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.995 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.647 ' CG ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.52 167.53 8.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.874 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.87 121.2 9.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.627 2.218 . . . . 0.0 112.519 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.443 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 89.4 p -65.14 -19.61 66.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.342 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -61.98 -18.57 60.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.398 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' O ' ' A' ' 53' ' ' VAL . 28.5 m-85 -79.82 -87.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.65 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.732 ' HA ' HG22 ' A' ' 6' ' ' VAL . 29.7 m -16.73 145.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.843 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -124.89 132.03 53.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.979 0.418 . . . . 0.0 111.473 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -73.43 136.58 44.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.62 HD21 HD12 ' A' ' 25' ' ' ILE . 4.2 mm? -68.4 -55.65 11.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.52 -174.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt 61.84 122.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -66.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.7 p80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.853 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.834 0.35 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -177.31 87.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -139.25 146.63 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.7 m -144.81 149.29 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.716 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' LYS . 5.3 ttmt -117.16 126.26 52.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.295 0.569 . . . . 0.0 111.536 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.875 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.8 t -69.14 144.05 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.22 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.767 HD21 ' HD2' ' A' ' 54' ' ' LYS . 2.5 mt -91.72 -27.63 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.433 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -116.23 178.85 4.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.785 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.67 149.21 28.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -127.57 143.72 51.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 11' ' ' ILE . 19.7 tt -117.05 120.62 33.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.7 144.38 35.23 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.407 2.072 . . . . 0.0 112.383 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -37.33 4.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.87 166.55 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.5 -28.76 69.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -94.66 43.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -138.6 133.46 32.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.872 HD11 ' HG2' ' A' ' 44' ' ' LYS . 5.6 tp -97.95 162.15 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -105.29 107.35 18.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.508 HD11 ' CG ' ' A' ' 48' ' ' PHE . 22.7 mt -89.43 108.34 19.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 139.43 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 7' ' ' LEU . 8.7 p -59.32 128.87 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.25 -5.7 84.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.842 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -84.43 143.53 29.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.86 0.362 . . . . 0.0 111.049 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.484 HD13 ' HG3' ' A' ' 5' ' ' LYS . 18.7 mm -95.98 128.16 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 26' ' ' ILE . 3.6 mp -128.74 128.27 67.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.322 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -96.87 123.78 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 38' ' ' SER . 3.8 mp -77.04 125.8 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.69 -31.32 13.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -166.95 133.09 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.09 129.25 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.759 HG21 HD23 ' A' ' 47' ' ' LEU . 21.5 t -74.42 -64.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -167.02 178.47 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 85.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 -49.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.577 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -108.04 129.63 55.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.424 ' CE3' HG12 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -123.6 161.66 24.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.663 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -109.92 157.44 19.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.79 165.89 33.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 m -147.62 139.66 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.85 -32.67 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.13 -70.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -129.31 17.3 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.872 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -123.11 121.78 36.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.852 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.36 136.8 54.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.3 -174.91 29.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.406 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.759 HD23 HG21 ' A' ' 32' ' ' VAL . 5.7 mp -127.41 148.77 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -163.66 166.96 11.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 34.4 Cg_exo -57.93 121.07 9.38 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.498 2.132 . . . . 0.0 112.309 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.408 ' HB2' ' CG ' ' A' ' 37' ' ' TRP . 21.3 t -63.03 -19.8 64.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.192 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.28 -26.42 68.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.269 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' ' O ' ' A' ' 53' ' ' VAL . 3.8 m-85 -66.89 -90.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.875 ' HA ' HG22 ' A' ' 6' ' ' VAL . 11.3 m -16.75 145.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.767 ' HD2' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -137.26 116.35 12.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.01 0.433 . . . . 0.0 111.978 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.93 136.52 57.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.009 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.3 -172.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -119.48 -80.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.97 163.68 30.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -139.71 97.74 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.7 m80 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.925 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.773 0.321 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.406 ' CD ' HD11 ' A' ' 28' ' ' ILE . 3.6 mmt180 60.64 111.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -136.96 153.62 50.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 m -146.6 140.58 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.557 ' HB2' HD13 ' A' ' 25' ' ' ILE . 7.2 ttpt -123.96 125.51 44.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.187 0.518 . . . . 0.0 111.283 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.747 HG22 ' HA ' ' A' ' 53' ' ' VAL . 9.6 t -62.3 144.09 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.329 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.664 HD11 ' HG3' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -91.62 -24.83 19.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.64 ' C ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -114.54 179.0 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 111.044 -179.667 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.43 148.73 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -138.75 144.07 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -125.39 131.29 24.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.75 145.07 15.86 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.543 2.162 . . . . 0.0 112.393 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -128.15 -42.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -83.92 171.29 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.967 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.32 -37.16 84.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.22 58.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -140.5 124.32 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.54 153.55 19.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.47 107.2 17.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.654 HD13 ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -106.23 87.97 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 168.41 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.64 HG22 ' C ' ' A' ' 8' ' ' PHE . 30.5 t -66.51 128.76 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.34 -5.79 71.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.938 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.63 130.14 37.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.809 0.338 . . . . 0.0 111.065 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 5' ' ' LYS . 25.8 mm -95.91 128.15 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.646 HG12 HD11 ' A' ' 20' ' ' LEU . 3.4 mp -130.37 139.06 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.19 119.63 33.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.406 HD11 ' CD ' ' A' ' 2' ' ' ARG . 13.7 pt -83.64 135.96 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -108.91 -46.04 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -167.41 151.24 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.47 134.88 39.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.609 HG21 HD21 ' A' ' 47' ' ' LEU . 24.0 t -87.58 -67.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -134.75 170.85 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.6 90.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.36 -22.81 5.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.651 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.69 ' HB3' HD11 ' A' ' 47' ' ' LEU . 56.5 m95 -116.39 132.09 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 3.1 m0 -120.46 161.56 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.6 m -113.27 154.41 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.27 171.53 39.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 m -133.63 117.04 16.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.92 -62.56 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -133.01 -62.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.779 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -146.37 21.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.76 137.92 52.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.821 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 tt -110.45 111.54 22.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.63 -159.27 10.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -144.85 148.47 34.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.767 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -166.5 160.61 12.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.96 124.69 16.55 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.597 2.198 . . . . 0.0 112.311 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.418 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 46.8 t -63.64 -19.74 65.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.212 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.2 -25.68 67.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.583 ' O ' ' O ' ' A' ' 53' ' ' VAL . 6.7 m-85 -74.85 -89.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.704 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 6' ' ' VAL . 14.6 m -16.75 145.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.664 ' HG3' HD11 ' A' ' 7' ' ' LEU . 1.6 tmtm? -121.59 123.22 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 111.422 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -75.06 136.15 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -173.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.26 117.76 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.24 100.8 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.61 110.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.927 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ptp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -176.85 82.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.637 ' HB3' HD11 ' A' ' 25' ' ' ILE . 17.8 mt-30 -129.41 149.82 51.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.9 m -148.12 140.69 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 4.2 ttpt -119.93 126.5 51.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.096 0.474 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.787 HG22 ' HA ' ' A' ' 53' ' ' VAL . 5.4 t -61.77 143.93 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.452 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -95.17 -21.61 18.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.335 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.864 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -115.11 178.99 4.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.003 0.43 . . . . 0.0 111.232 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.97 141.17 36.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.786 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' O ' HD13 ' A' ' 11' ' ' ILE . 78.7 t80 -124.57 144.16 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 10' ' ' TYR . 30.0 mm -121.36 106.84 37.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.03 -167.42 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.471 2.114 . . . . 0.0 112.255 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -160.18 -45.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -92.25 167.14 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -25.09 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -93.57 43.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.029 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -143.93 131.88 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.688 HD23 ' N ' ' A' ' 19' ' ' GLU . 3.2 tt -97.91 163.7 12.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.688 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -102.58 107.28 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.819 HD21 ' CE2' ' A' ' 48' ' ' PHE . 82.0 mt -93.19 87.66 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.01 146.0 25.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.1 m -56.56 128.83 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.81 -5.66 64.13 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.748 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.72 135.7 33.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.859 0.362 . . . . 0.0 111.18 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.637 HD11 ' HB3' ' A' ' 3' ' ' GLN . 17.9 tt -116.13 124.18 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.468 HD12 ' CD2' ' A' ' 20' ' ' LEU . 34.0 mt -116.04 138.91 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.198 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.89 119.67 21.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.796 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.476 HG21 ' CZ3' ' A' ' 37' ' ' TRP . 43.6 pt -84.62 136.24 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -104.49 -43.21 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -167.41 163.17 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -112.17 133.41 54.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 33' ' ' GLU . 12.4 p -73.6 -43.08 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -174.8 -177.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -76.85 74.22 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.97 -43.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.399 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -124.34 148.38 47.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.798 0.333 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.476 ' CZ3' HG21 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -126.66 157.44 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -123.34 143.76 49.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.05 -174.31 21.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.563 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -157.74 109.51 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.02 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -128.96 -69.57 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.37 26.65 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -127.7 142.68 51.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.814 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tt -125.02 124.84 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.35 -172.2 12.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mp -137.97 148.73 45.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.819 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.44 163.41 11.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.95 126.5 21.86 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.6 2.2 . . . . 0.0 112.288 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 2.7 p -64.38 -20.02 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -62.45 -29.07 70.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.114 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' ' O ' ' A' ' 53' ' ' VAL . 10.0 m-85 -70.46 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.787 ' HA ' HG22 ' A' ' 6' ' ' VAL . 26.8 m -16.57 145.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.624 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -129.0 124.9 36.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.377 . . . . 0.0 111.374 179.067 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.411 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -87.28 136.57 32.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.971 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -156.49 35.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.06 77.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.3 mt -150.5 175.23 12.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -157.19 -65.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.73 106.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -141.44 148.13 39.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 96.9 m -148.17 144.24 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -120.12 126.56 51.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.055 0.455 . . . . 0.0 111.192 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.851 HG21 ' HB3' ' A' ' 20' ' ' LEU . 4.5 t -61.61 143.96 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.306 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.773 HD23 ' HG3' ' A' ' 54' ' ' LYS . 2.6 pp -92.52 -22.13 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.277 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.735 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -114.71 178.86 4.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.45 155.62 17.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 60.1 t80 -146.39 144.18 29.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.74 HG22 ' HG2' ' A' ' 13' ' ' GLN . 16.3 mm -112.73 106.92 55.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.99 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.78 -46.1 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.448 2.099 . . . . 0.0 112.451 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.74 ' HG2' HG22 ' A' ' 11' ' ' ILE . 36.0 mm-40 54.75 27.28 8.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.17 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -160.86 152.29 19.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -32.06 73.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.509 ' OD2' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -72.96 -29.22 62.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -99.02 138.99 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.663 HD23 ' N ' ' A' ' 19' ' ' GLU . 1.8 tt -97.92 163.58 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.663 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -92.65 107.19 19.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.804 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.851 ' HB3' HG21 ' A' ' 6' ' ' VAL . 2.9 mp -93.52 95.22 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -98.75 153.26 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 7' ' ' LEU . 21.8 t -57.93 128.81 19.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.92 83.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -86.15 128.22 34.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.998 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.7 tt -108.13 124.13 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 mp -110.29 137.85 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.8 119.54 24.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -86.6 117.19 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.036 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -91.9 -45.92 8.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.68 164.62 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HG2' ' CE2' ' A' ' 37' ' ' TRP . 2.2 mp0 -108.0 121.07 44.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.809 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.1 -41.58 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.28 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 177.68 -178.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -70.76 116.85 11.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.08 -27.24 10.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.406 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -133.25 135.3 44.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.436 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 5.0 m0 -123.22 161.59 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.414 ' HA ' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -111.45 131.53 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.57 -176.6 14.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -163.72 109.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -63.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -143.68 -61.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.8 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.36 22.58 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.022 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -127.75 130.41 48.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.11 117.63 34.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.45 141.05 9.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.53 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.509 HD12 ' OD2' ' A' ' 16' ' ' ASP . 2.6 mt -102.25 152.09 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.814 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.607 ' CD2' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -164.03 167.67 10.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.41 120.97 9.02 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 72.7 p -65.34 -20.35 66.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.225 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -62.38 -30.17 71.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.1 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.572 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.9 m-85 -67.54 -82.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.821 ' HA ' HG22 ' A' ' 6' ' ' VAL . 9.8 m -16.5 145.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.773 ' HG3' HD23 ' A' ' 7' ' ' LEU . 5.5 tttt -120.8 143.83 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.464 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -84.52 136.6 33.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 56' ' ' LEU . 5.9 mt -104.57 29.23 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -110.92 93.59 4.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -164.21 131.41 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 93.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 59.3 t60 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.919 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 mtp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.782 0.325 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -112.66 94.53 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -129.78 152.91 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -147.9 154.67 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 1.2 ttpt -117.41 126.32 52.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 20' ' ' LEU . 4.8 t -61.72 143.69 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.426 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.988 HD23 ' HG3' ' A' ' 54' ' ' LYS . 4.3 pp -95.81 -24.94 16.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.252 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.687 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -114.77 178.95 4.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.951 0.405 . . . . 0.0 111.125 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -110.1 144.28 38.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.455 ' HB3' HD12 ' A' ' 20' ' ' LEU . 89.0 t80 -127.53 144.03 51.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.3 mp -110.69 106.95 58.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.94 145.01 42.76 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.427 2.085 . . . . 0.0 112.189 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -119.06 -40.34 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -115.33 170.05 8.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.51 -23.48 67.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.14 38.1 1.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -141.68 128.67 20.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.501 HD23 ' H ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -97.88 156.42 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.501 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.3 tm-20 -90.66 107.38 19.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.747 ' HB3' HG21 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -84.85 84.15 7.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -79.26 142.46 36.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.535 HG22 ' C ' ' A' ' 8' ' ' PHE . 24.7 t -65.17 130.45 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.56 -5.75 58.74 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.913 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.61 143.45 30.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.4 mt -102.03 139.45 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.711 HG21 ' HZ ' ' A' ' 48' ' ' PHE . 14.2 mt -125.13 127.75 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -96.52 119.59 35.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.795 HG23 ' O ' ' A' ' 38' ' ' SER . 3.9 mp -81.2 136.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -105.62 -43.86 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -150.24 148.14 28.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -83.64 118.61 23.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.813 HG21 HD23 ' A' ' 47' ' ' LEU . 31.9 t -63.22 -69.19 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -149.71 -177.8 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -74.42 64.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.54 -43.13 0.26 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -106.3 135.0 48.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.419 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.4 m0 -112.03 161.37 16.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.795 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -110.07 157.42 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.98 163.54 33.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.588 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.1 m -116.65 152.76 33.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.53 56.9 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.2 t30 59.93 89.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 60.85 19.79 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -127.75 108.82 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.01 138.71 38.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.454 ' N ' HD12 ' A' ' 18' ' ' LEU . . . 175.35 159.58 21.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.558 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.813 HD23 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -108.92 158.36 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.711 ' HZ ' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -166.37 162.66 11.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 18.1 Cg_endo -59.54 126.91 21.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.419 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 96.4 p -65.15 -19.82 66.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.451 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -25.01 67.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.312 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.58 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.8 m-85 -72.11 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.715 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.72 ' HA ' HG22 ' A' ' 6' ' ' VAL . 27.1 m -16.86 145.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.988 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -125.12 128.04 47.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.409 . . . . 0.0 111.572 179.283 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.96 136.49 48.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 pp -82.31 153.4 25.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -95.18 164.05 13.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.18 113.07 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -113.81 -68.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.741 0.305 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.84 14.78 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.269 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -152.34 143.87 23.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.892 0.377 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.8 m -148.45 162.81 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -127.18 125.75 41.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.078 0.466 . . . . 0.0 111.175 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.79 HG21 ' HB3' ' A' ' 20' ' ' LEU . 4.2 t -64.67 143.91 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.523 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.878 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.3 pp -98.57 -26.4 14.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.878 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -114.75 178.87 4.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.881 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.43 148.77 22.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.462 ' CG ' HD12 ' A' ' 20' ' ' LEU . 82.0 t80 -126.07 143.53 51.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 mt -125.34 106.93 27.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.61 167.75 23.67 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.542 2.162 . . . . 0.0 112.37 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.59 26.07 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -160.98 163.03 32.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.03 -20.44 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.26 32.14 2.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.083 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -143.94 126.49 15.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.91 152.51 19.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -85.94 107.26 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.79 ' HB3' HG21 ' A' ' 6' ' ' VAL . 2.5 mt -81.87 101.28 10.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 147.3 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 t -62.74 128.84 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.1 -5.87 81.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.929 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.44 144.5 26.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.4 mt -113.87 143.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.987 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.17 139.1 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.82 121.41 38.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 38' ' ' SER . 3.6 mp -74.45 130.33 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -92.83 -45.97 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -162.82 129.67 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.31 148.78 29.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.69 -58.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -166.17 178.95 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.81 74.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.51 -66.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -103.86 136.8 42.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -123.26 161.62 24.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 28' ' ' ILE . 2.4 m -110.01 155.3 22.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.71 157.67 28.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.573 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.71 141.61 34.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.72 -51.86 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.53 -73.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.31 -18.55 11.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.246 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.57 146.61 24.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.868 0.366 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.19 123.11 25.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.01 167.46 27.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.543 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mp -121.7 158.82 27.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.776 ' CZ ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.34 167.15 8.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.94 122.11 11.16 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.54 2.16 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.6 t -64.72 -19.69 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.236 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.19 -28.04 69.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' O ' ' A' ' 53' ' ' VAL . 4.4 m-85 -71.96 -87.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.74 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.752 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.3 m -16.65 145.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.603 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -120.83 123.09 41.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.393 . . . . 0.0 111.536 179.351 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.01 134.42 56.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.5 pp -103.19 117.66 35.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -111.33 -32.55 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.46 133.24 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.77 41.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.6 m80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.903 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.798 0.332 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.9 ttm105 -169.36 116.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -134.89 153.88 51.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -148.09 147.77 29.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' HB3' HG12 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -117.54 126.76 53.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.993 0.425 . . . . 0.0 111.031 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.773 HG22 ' HA ' ' A' ' 53' ' ' VAL . 22.3 t -61.09 143.87 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.326 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.3 pp -93.78 -24.07 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.677 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.859 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -114.42 178.9 4.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.888 0.375 . . . . 0.0 111.098 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -100.67 157.36 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.417 ' CD2' HD12 ' A' ' 20' ' ' LEU . 44.7 t80 -148.74 144.14 26.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.6 mm -119.47 107.03 41.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.01 -167.8 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.441 2.094 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -168.36 -43.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -84.93 160.99 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.05 -29.13 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.15 44.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -143.87 126.15 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 4.0 tp -101.6 163.74 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -90.5 107.34 19.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.851 HD11 ' HB2' ' A' ' 48' ' ' PHE . 5.1 mt -83.91 79.57 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 142.39 36.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 ' C ' ' A' ' 8' ' ' PHE . 26.2 t -64.59 128.73 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.43 -5.89 80.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.911 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.12 130.36 35.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.834 0.317 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.466 HG12 ' HB3' ' A' ' 5' ' ' LYS . 7.3 mt -95.95 130.27 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.41 HG22 ' HA3' ' A' ' 39' ' ' GLY . 3.0 mp -127.45 119.8 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.743 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -74.13 119.3 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.183 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.0 pt -86.95 125.12 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.72 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -104.86 -46.05 4.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.446 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -124.67 148.13 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 111.201 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.61 107.03 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.639 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.56 -50.83 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.083 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.62 -172.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -82.94 58.07 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.88 -47.44 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.351 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -126.55 123.38 37.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 110.755 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.444 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 27.6 m0 -113.06 158.44 20.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.87 144.51 42.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.814 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -154.12 179.07 30.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.609 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -134.85 140.4 45.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.82 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -78.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -116.5 -17.51 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.493 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -178.38 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.748 0.309 . . . . 0.0 111.21 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -86.48 138.26 31.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.97 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mp -103.41 147.02 27.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.56 176.1 27.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.349 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.18 148.66 51.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.851 ' HB2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.64 167.9 7.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.441 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 39.8 Cg_exo -57.69 121.01 9.29 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.474 2.116 . . . . 0.0 112.238 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 21.0 p -65.13 -19.88 66.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.328 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -62.29 -21.4 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.343 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' O ' ' O ' ' A' ' 53' ' ' VAL . 5.9 m-85 -77.33 -78.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.773 ' HA ' HG22 ' A' ' 6' ' ' VAL . 5.8 m -16.32 144.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.804 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -134.43 117.87 16.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.334 179.177 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.03 136.62 56.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.77 179.99 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -145.33 124.82 13.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.59 30.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -141.1 141.04 34.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.878 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.794 0.331 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.41 136.0 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -140.38 144.21 36.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -148.03 148.51 30.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 2.8 ttpt -117.16 125.55 51.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.516 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.79 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.3 t -66.68 143.8 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.514 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.792 HD12 ' N ' ' A' ' 8' ' ' PHE . 3.6 pp -96.47 -25.1 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.95 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.792 ' N ' HD12 ' A' ' 7' ' ' LEU . 1.3 m-85 -114.75 178.93 4.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.793 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -104.91 155.34 19.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -134.38 143.39 47.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.539 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.6 mp -119.33 106.95 41.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.249 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -78.05 164.16 27.49 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.528 2.152 . . . . 0.0 112.38 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.91 33.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -151.17 173.36 14.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.74 -31.26 71.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.761 ' OD2' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -114.14 56.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -143.3 121.52 12.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.521 HD13 ' HA3' ' A' ' 46' ' ' GLY . 2.0 tp -99.56 163.66 12.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -105.92 107.28 18.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.821 HD11 ' CG ' ' A' ' 48' ' ' PHE . 5.3 mt -91.34 118.69 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -97.76 138.67 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.755 HG22 ' C ' ' A' ' 8' ' ' PHE . 19.4 t -63.69 128.85 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.97 -5.76 76.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.903 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -98.27 154.12 18.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.404 HG12 ' HB2' ' A' ' 5' ' ' LYS . 6.8 mt -106.84 142.87 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mp -130.28 132.29 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.27 124.98 33.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.575 HD12 ' H ' ' A' ' 28' ' ' ILE . 3.7 mp -73.47 129.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -96.43 -39.76 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.37 131.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' OE2' ' CZ2' ' A' ' 37' ' ' TRP . 5.3 tt0 -75.9 117.01 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.24 -66.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -162.52 -177.37 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.73 76.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.82 -43.22 0.55 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -109.93 132.75 53.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.409 ' CD1' ' OG ' ' A' ' 50' ' ' SER . 4.6 m0 -120.29 161.59 20.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.7 t -110.41 157.46 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.47 141.91 8.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.6 m -111.62 137.01 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.1 119.52 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 62.4 41.55 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 61.96 32.51 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.61 127.45 43.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.12 146.19 30.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.521 ' HA3' HD13 ' A' ' 18' ' ' LEU . . . -161.47 -173.18 29.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.761 HD13 ' OD2' ' A' ' 16' ' ' ASP . 4.5 mp -135.4 148.79 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.821 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -165.32 157.71 13.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.73 137.15 78.43 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.641 2.227 . . . . 0.0 112.424 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.409 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -65.29 -19.46 65.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.312 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -62.12 -17.78 58.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.397 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' O ' ' O ' ' A' ' 53' ' ' VAL . 14.3 m-85 -82.53 -93.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.642 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.79 ' HA ' HG22 ' A' ' 6' ' ' VAL . 6.9 m -16.81 144.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.747 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -133.44 116.52 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.959 0.409 . . . . 0.0 111.469 179.176 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.66 136.52 49.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.976 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.0 mt -94.5 164.25 13.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -108.35 159.31 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.59 29.92 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -177.52 -174.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.259 -0.876 . . . . 0.0 110.924 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.841 0.353 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 59.88 84.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -135.94 144.42 45.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 m -146.96 142.86 27.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HB2' HD13 ' A' ' 25' ' ' ILE . 13.7 ttpp -117.14 126.25 52.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 0.0 111.304 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.703 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.4 t -62.66 143.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.294 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.728 HD12 ' N ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -95.65 -23.32 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.368 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.728 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -119.21 178.94 4.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.889 0.376 . . . . 0.0 111.173 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.576 ' HG3' HG12 ' A' ' 22' ' ' VAL . 3.6 mt-10 -107.36 142.54 37.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.404 ' CB ' HD12 ' A' ' 20' ' ' LEU . 71.3 t80 -130.26 144.08 51.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.1 tt -117.7 111.95 39.14 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.99 172.68 14.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.361 2.04 . . . . 0.0 112.249 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -152.88 26.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -161.0 162.73 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -62.85 -28.71 70.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -97.92 31.12 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -130.83 125.51 33.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.773 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -97.82 161.69 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -102.33 107.24 18.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.844 HD11 ' HB2' ' A' ' 48' ' ' PHE . 1.9 mt -79.68 86.03 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.624 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.24 127.3 31.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.576 HG12 ' HG3' ' A' ' 9' ' ' GLU . 10.7 p -59.32 132.7 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.985 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.27 -5.82 82.7 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.754 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -93.53 141.63 28.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 5' ' ' LYS . 25.6 mm -95.95 124.24 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.478 HG23 HD12 ' A' ' 41' ' ' LEU . 4.1 mp -116.33 138.0 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.008 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.2 119.66 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.607 HG21 ' CZ3' ' A' ' 37' ' ' TRP . 19.5 pt -86.57 129.02 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.995 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -110.92 -46.0 3.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.05 145.83 38.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -100.49 113.74 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.739 HG21 HD21 ' A' ' 47' ' ' LEU . 24.9 t -60.14 -67.42 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -172.17 -178.08 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.61 75.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.27 -28.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.535 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -135.33 139.9 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.607 ' CZ3' HG21 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -124.91 156.0 38.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.04 135.36 54.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -155.99 -172.32 23.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -149.94 135.35 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.8 mp -100.56 -74.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -132.2 81.7 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.7 t30 60.61 24.07 13.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.026 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -127.67 115.6 18.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.28 143.96 32.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.438 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -168.72 -160.71 17.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.739 HD21 HG21 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -137.32 154.45 50.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.843 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.844 ' HB2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.44 166.29 9.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.7 121.05 9.22 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.606 2.204 . . . . 0.0 112.218 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.2 p -61.7 -20.77 63.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -62.47 -30.26 71.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' O ' ' O ' ' A' ' 53' ' ' VAL . 2.8 m-85 -65.42 -90.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.72 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.703 ' HA ' HG22 ' A' ' 6' ' ' VAL . 31.3 m -16.9 145.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.655 ' HD2' HD23 ' A' ' 7' ' ' LEU . 1.1 ttpt -130.08 116.68 18.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.398 . . . . 0.0 111.635 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 136.3 37.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -78.95 -80.36 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 55.05 32.03 17.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.83 -167.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 77.77 69.8 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.857 0.361 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -128.79 137.45 51.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -146.98 144.28 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.2 m -145.95 141.56 27.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.654 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -117.04 126.25 52.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 111.481 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.848 HG22 ' HA ' ' A' ' 53' ' ' VAL . 6.0 t -66.28 144.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.143 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.772 HD11 ' HG3' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -91.25 -30.61 16.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.979 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -114.69 178.96 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.161 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.05 157.47 17.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.465 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 56.5 t80 -134.04 144.09 48.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.7 mm -104.4 106.86 55.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.18 166.63 27.41 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.443 2.096 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.2 36.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -140.59 165.36 27.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -30.56 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.91 64.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -140.57 123.89 16.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.0 tp -97.94 154.97 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.05 107.27 19.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.785 ' HB3' HG21 ' A' ' 6' ' ' VAL . 24.5 mt -87.74 87.72 7.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 158.36 27.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 7' ' ' LEU . 9.8 p -68.86 128.78 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.25 -5.73 83.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.877 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -79.98 133.27 36.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.0 111.099 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.607 ' O ' HD12 ' A' ' 41' ' ' LEU . 20.4 mm -96.13 124.14 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.544 HD13 ' O ' ' A' ' 25' ' ' ILE . 25.4 mm -129.39 130.37 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.279 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.75 126.52 41.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 38' ' ' SER . 3.3 mt -68.78 136.05 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -109.42 -30.33 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -161.08 129.65 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -93.33 118.39 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.585 HG12 ' HG2' ' A' ' 33' ' ' GLU . 39.0 t -66.2 -72.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.585 ' HG2' HG12 ' A' ' 32' ' ' VAL . 4.1 mm-40 -137.9 -69.24 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -169.47 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.15 -27.46 52.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.368 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.411 ' CZ3' ' HG3' ' A' ' 49' ' ' PRO . 72.6 m95 -119.06 115.92 25.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.664 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.432 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 16.6 m0 -113.38 161.8 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.9 m -109.85 157.5 19.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.774 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -151.16 166.04 30.44 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.4 m -163.5 101.59 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 25' ' ' ILE . 7.2 tt -73.53 -68.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -140.63 -62.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -131.93 31.08 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -127.44 116.29 20.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mp -117.42 129.85 56.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.85 167.42 39.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.29 152.26 30.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -162.35 165.61 15.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HG3' ' CZ3' ' A' ' 36' ' ' TRP . 37.3 Cg_exo -57.76 126.58 22.2 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.616 2.211 . . . . 0.0 112.507 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 17.4 t -61.89 -19.77 63.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.197 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -62.05 -25.14 67.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.173 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' O ' ' A' ' 53' ' ' VAL . 24.8 m-85 -70.57 -91.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.612 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.848 ' HA ' HG22 ' A' ' 6' ' ' VAL . 5.6 m -16.79 145.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.772 ' HG3' HD11 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -137.24 116.47 12.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 111.715 179.314 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 135.96 57.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 60' ' ' HIS . 25.4 mt -60.49 157.0 14.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -148.09 83.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.798 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 mp 60.91 31.24 19.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -109.27 -32.07 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.549 ' HB2' HD13 ' A' ' 56' ' ' LEU . 38.5 t60 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -100.97 111.76 24.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.783 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -137.75 151.46 48.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 m -145.66 147.22 31.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -119.88 126.75 51.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.039 0.447 . . . . 0.0 111.456 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.817 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.5 t -61.6 143.75 14.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.19 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.769 HD12 ' N ' ' A' ' 8' ' ' PHE . 3.6 pp -93.47 -23.1 18.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.043 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.769 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -114.85 179.04 4.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.928 0.394 . . . . 0.0 111.021 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.502 ' OE2' HG12 ' A' ' 22' ' ' VAL . 5.5 mm-40 -99.26 171.0 8.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -155.01 144.18 21.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.05 107.87 51.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.58 151.43 82.86 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.411 2.074 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.71 28.11 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.93 164.01 31.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.03 -30.16 70.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.08 31.76 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.5 127.47 47.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 12.4 tp -97.91 158.89 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.724 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -98.3 107.11 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.055 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 48' ' ' PHE . 2.8 mm? -73.97 105.05 5.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.4 129.96 39.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.799 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 7' ' ' LEU . 9.6 p -53.44 128.64 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.97 -5.84 84.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.718 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -90.45 133.01 35.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.786 0.327 . . . . 0.0 110.933 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -95.87 140.61 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.42 139.52 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.73 119.69 33.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.846 HG23 ' O ' ' A' ' 38' ' ' SER . 1.8 mp -81.56 136.06 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -94.79 -46.11 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.46 163.25 14.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -80.55 108.88 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.76 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.745 HG21 HD21 ' A' ' 47' ' ' LEU . 22.4 m -63.0 -46.65 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.495 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' N ' HG23 ' A' ' 32' ' ' VAL . 2.4 mm-40 -150.54 -175.85 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.053 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -87.69 53.21 2.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.42 -36.61 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.026 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.403 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 29.4 m95 -106.62 150.45 26.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.718 0.294 . . . . 0.0 110.447 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -122.63 161.72 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 111.089 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.846 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -109.82 157.53 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.892 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.64 162.67 29.15 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.643 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.96 131.25 30.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.727 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.06 95.37 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.105 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 63.03 66.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.216 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t30 56.5 31.7 19.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.292 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -114.55 132.42 56.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.757 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.5 133.67 55.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.97 167.66 38.12 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.375 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.745 HD21 HG21 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -126.1 148.47 49.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.786 ' CD2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.6 166.01 9.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.89 122.65 11.29 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.646 2.23 . . . . 0.0 112.347 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.0 t -65.26 -19.86 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.313 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -20.71 64.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.413 -179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' O ' ' O ' ' A' ' 53' ' ' VAL . 6.0 m-85 -78.07 -84.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.982 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.817 ' HA ' HG22 ' A' ' 6' ' ' VAL . 31.5 m -16.43 145.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.577 ' HD2' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -123.13 131.75 53.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.438 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.521 ' OE2' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -87.18 135.73 33.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.809 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.68 179.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.43 142.28 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.521 HD11 ' OE2' ' A' ' 55' ' ' GLU . 5.4 mp -111.32 160.66 16.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.78 57.17 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.691 ' HB3' HD11 ' A' ' 28' ' ' ILE . 19.2 mtt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.401 ' NE2' HG23 ' A' ' 25' ' ' ILE . 2.8 tt0 -145.73 144.05 30.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 m -148.14 142.12 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HB2' HD13 ' A' ' 25' ' ' ILE . 4.1 ttpt -119.58 126.23 50.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.05 0.452 . . . . 0.0 111.198 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.8 t -63.54 144.06 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.22 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.818 HD12 ' N ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -91.73 -26.72 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.406 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.818 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -127.27 178.97 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 111.071 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -94.59 153.84 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -126.91 144.12 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -118.4 106.84 44.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.025 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.74 153.14 29.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.51 2.14 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.23 -34.92 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -103.89 163.39 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -30.85 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 47' ' ' LEU . 12.1 m-20 -70.29 -13.43 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.306 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -99.07 134.28 42.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.879 0.371 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -98.33 163.67 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.547 ' N ' HD23 ' A' ' 18' ' ' LEU . 18.9 tt0 -98.47 107.26 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.997 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.612 ' HB3' HG21 ' A' ' 6' ' ' VAL . 4.7 mt -81.68 111.44 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.33 137.95 32.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 7' ' ' LEU . 9.9 p -67.03 128.67 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.11 -5.83 84.07 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.864 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.438 ' OD1' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -85.29 140.57 30.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.961 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 5' ' ' LYS . 21.3 mm -95.85 127.25 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.449 ' CD1' HD23 ' A' ' 20' ' ' LEU . 28.5 mt -124.32 127.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.1 119.61 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.691 HD11 ' HB3' ' A' ' 2' ' ' ARG . 38.7 pt -86.55 133.06 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -104.05 -45.79 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -162.73 142.47 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 107.79 19.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.2 t -60.07 -41.01 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -144.97 172.85 12.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -29.97 68.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.15 -36.54 3.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -100.9 121.52 41.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -116.68 161.48 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.9 m -111.79 157.39 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.31 176.22 40.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 m -143.61 115.8 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.438 HD21 ' OD1' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -79.08 -76.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -115.68 -73.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.6 26.0 2.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -127.69 147.2 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.01 141.68 51.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.483 ' HA3' HD12 ' A' ' 18' ' ' LEU . . . -168.37 -172.95 35.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 16' ' ' ASP . 0.8 OUTLIER -130.5 158.57 39.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.46 160.81 12.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.04 127.75 26.22 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.632 2.221 . . . . 0.0 112.409 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.13 -19.5 66.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.339 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -62.01 -24.82 67.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.355 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' O ' ' A' ' 53' ' ' VAL . 17.6 m-85 -76.76 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.677 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.716 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.5 m -16.72 145.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.52 116.68 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.905 0.383 . . . . 0.0 111.471 179.407 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -64.16 136.55 57.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.033 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.818 0.342 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -151.18 149.71 29.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.8 m -148.17 149.5 32.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.537 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -117.03 126.2 52.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.146 0.498 . . . . 0.0 111.202 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.736 HG21 HD22 ' A' ' 20' ' ' LEU . 3.2 t -64.33 143.7 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.506 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.893 HD23 ' HG3' ' A' ' 54' ' ' LYS . 4.4 pp -95.22 -21.16 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.819 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.561 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -114.61 178.91 4.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.752 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -100.21 168.21 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -155.04 144.22 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 11' ' ' ILE . 1.3 tp -117.18 118.77 35.54 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.94 127.66 13.94 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.384 2.056 . . . . 0.0 112.334 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -39.08 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -89.83 167.43 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -37.13 83.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.23 48.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -140.41 126.38 19.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 163.69 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -93.99 107.27 19.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.885 HD11 ' CG ' ' A' ' 48' ' ' PHE . 7.3 mt -88.56 91.57 8.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -79.31 140.24 37.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.749 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.28 128.82 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.2 -5.8 65.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -93.56 126.64 38.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.8 0.333 . . . . 0.0 110.992 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 25' ' ' ILE . 16.6 tt -98.01 127.64 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.627 ' CD1' HD23 ' A' ' 20' ' ' LEU . 20.3 mt -120.73 138.57 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.22 119.58 24.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.8 pt -80.86 134.6 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.41 -46.16 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.38 164.78 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.132 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' NE1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -97.88 147.99 23.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.548 HG21 HD21 ' A' ' 47' ' ' LEU . 21.8 t -98.6 -62.54 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.14 -174.39 4.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -84.67 59.78 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.64 -41.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.528 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -127.0 132.7 50.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.438 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 10.7 m0 -113.08 161.66 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m -110.0 157.46 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.37 172.37 31.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -142.33 144.58 33.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -146.07 113.49 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.972 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.41 -83.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -145.55 16.57 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.237 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.85 128.5 45.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.774 0.321 . . . . 0.0 110.858 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 45' ' ' LEU . 2.0 pt? -121.78 137.77 54.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.17 165.58 27.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.381 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.548 HD21 HG21 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -110.54 148.63 31.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.904 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.885 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.48 167.21 8.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 33.0 Cg_exo -57.83 120.86 9.04 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.557 2.171 . . . . 0.0 112.373 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 13.7 p -65.31 -19.91 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.269 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -62.32 -22.7 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.281 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' ' O ' ' A' ' 53' ' ' VAL . 5.6 m-85 -76.64 -86.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.735 ' HA ' HG22 ' A' ' 6' ' ' VAL . 9.4 m -16.59 145.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.893 ' HG3' HD23 ' A' ' 7' ' ' LEU . 3.7 tttt -127.02 125.68 41.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.981 0.42 . . . . 0.0 111.561 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.83 136.63 38.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.938 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.998 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.819 0.342 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.614 ' HB3' HD11 ' A' ' 25' ' ' ILE . 55.3 mt-30 -130.56 151.81 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.419 ' HA ' HD23 ' A' ' 56' ' ' LEU . 19.4 m -148.01 148.35 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -128.25 126.99 41.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.051 0.453 . . . . 0.0 111.187 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.826 HG22 ' HA ' ' A' ' 53' ' ' VAL . 4.4 t -61.51 143.75 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.8 HD23 ' HG3' ' A' ' 54' ' ' LYS . 3.6 pp -96.35 -21.17 17.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.681 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -114.59 179.0 4.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 111.005 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -104.58 149.64 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -138.36 134.27 34.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.34 106.84 53.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.84 128.36 8.43 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -95.93 -30.35 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -100.88 154.93 18.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.32 -33.73 76.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -65.37 -18.06 65.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.257 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.02 141.57 31.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.852 0.358 . . . . 0.0 111.007 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.659 HD23 ' H ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -103.1 158.64 16.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.659 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.4 tt0 -89.21 109.13 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.66 ' HB3' HG21 ' A' ' 6' ' ' VAL . 3.1 mp -90.51 110.07 21.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -99.26 163.28 12.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -68.09 128.82 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.404 ' HA2' ' HE2' ' A' ' 5' ' ' LYS . . . 90.48 -5.89 82.42 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.881 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -79.5 132.73 36.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.002 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 3' ' ' GLN . 16.8 tt -113.26 124.17 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.468 HG22 ' HA3' ' A' ' 39' ' ' GLY . 3.7 mp -114.95 125.92 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.15 119.52 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.0 pt -86.56 136.16 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.27 -45.94 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.77 164.74 26.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 6.2 mt-10 -95.11 152.59 18.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 t -89.03 -66.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.91 -72.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -173.88 35.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.19 -51.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.333 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.743 ' HB3' HD13 ' A' ' 47' ' ' LEU . 16.2 m95 -101.38 131.15 47.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 110.61 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.44 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 6.3 m0 -111.96 159.74 18.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.025 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -110.06 135.72 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.468 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -147.1 177.63 25.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.542 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 m -132.58 127.31 34.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.38 30.44 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.8 t30 57.99 21.82 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 176.46 -43.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.727 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.528 ' HB3' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -99.42 145.29 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.22 123.32 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.589 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -172.1 160.0 31.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.584 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 36' ' ' TRP . 3.9 pp -107.54 161.89 14.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.49 167.74 7.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.048 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.86 124.6 16.37 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.64 2.227 . . . . 0.0 112.393 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.44 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 10.8 t -65.14 -19.68 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.251 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -25.62 67.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.168 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.556 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-85 -76.67 -85.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.727 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.826 ' HA ' HG22 ' A' ' 6' ' ' VAL . 27.2 m -16.54 145.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.8 ' HG3' HD23 ' A' ' 7' ' ' LEU . 10.0 tttt -122.8 120.15 32.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.313 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.86 136.58 57.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD21 HD12 ' A' ' 25' ' ' ILE . 3.6 mm? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.522 ' HB3' HD11 ' A' ' 25' ' ' ILE . 14.5 mt-30 -141.05 151.0 43.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -146.03 140.63 26.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -117.28 126.17 52.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.199 0.523 . . . . 0.0 111.409 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.852 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -64.64 144.01 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.25 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.609 HD11 ' HG2' ' A' ' 54' ' ' LYS . 3.3 mt -97.27 -21.35 17.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.025 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.519 ' H ' HG12 ' A' ' 6' ' ' VAL . 11.2 m-85 -114.63 178.9 4.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.864 0.364 . . . . 0.0 111.018 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.78 161.45 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 60.6 t80 -149.84 144.06 25.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.9 mp -108.43 106.84 59.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.167 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -79.94 -44.97 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.473 2.116 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HG2' HG22 ' A' ' 11' ' ' ILE . 11.3 mm-40 54.65 29.69 11.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.87 152.87 19.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.05 -31.59 72.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.15 -35.89 74.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -99.54 134.59 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.447 HD11 ' HG3' ' A' ' 44' ' ' LYS . 5.7 tp -97.91 149.81 22.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -83.03 107.28 15.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.744 HD22 HG21 ' A' ' 6' ' ' VAL . 40.7 mt -87.41 84.04 7.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.769 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -79.29 143.96 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 7' ' ' LEU . 10.0 p -58.22 134.69 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.22 -5.83 75.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.765 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.48 130.83 44.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.795 0.331 . . . . 0.0 111.0 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.522 HD11 ' HB3' ' A' ' 3' ' ' GLN . 2.2 tt -106.43 125.47 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.567 HD13 ' CD2' ' A' ' 20' ' ' LEU . 3.5 mp -118.75 139.47 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -93.37 126.18 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 ' H ' ' A' ' 28' ' ' ILE . 1.9 mp -68.8 136.14 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -105.41 -36.22 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.37 129.66 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -77.33 122.82 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.628 HG12 ' HG3' ' A' ' 33' ' ' GLU . 24.3 t -70.64 -62.73 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.628 ' HG3' HG12 ' A' ' 32' ' ' VAL . 15.5 mt-10 -136.88 -159.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.688 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -92.34 30.63 1.44 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.869 0.366 . . . . 0.0 110.987 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.41 -43.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.208 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -95.64 131.28 42.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.791 0.329 . . . . 0.0 110.699 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.429 ' CE3' HG12 ' A' ' 28' ' ' ILE . 8.8 m0 -114.43 161.78 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.057 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 28' ' ' ILE . 8.0 t -109.86 157.53 19.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.59 151.99 23.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.0 m -136.79 111.76 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.37 87.24 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.46 -73.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -144.17 31.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.447 ' HG3' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -120.2 112.72 19.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.63 144.99 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 179.83 163.17 30.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.7 mt -123.97 148.79 46.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.649 ' CD1' HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -162.59 165.6 15.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.94 124.23 15.51 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.555 2.17 . . . . 0.0 112.34 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.405 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 16.9 t -64.01 -19.89 65.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.39 -28.69 69.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' O ' ' O ' ' A' ' 53' ' ' VAL . 16.7 m-85 -66.86 -88.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.712 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.852 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.5 m -16.73 145.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.609 ' HG2' HD11 ' A' ' 7' ' ' LEU . 6.7 tptt -135.24 117.5 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.075 0.464 . . . . 0.0 111.748 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.13 136.57 39.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.035 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.65 ' HD2' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.828 0.347 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.626 ' CB ' HD11 ' A' ' 25' ' ' ILE . 33.9 mt-30 -128.04 157.37 40.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 14.5 m -145.77 141.16 27.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -117.23 126.06 52.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.262 0.553 . . . . 0.0 111.432 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.823 HG22 ' HA ' ' A' ' 53' ' ' VAL . 18.2 t -62.52 143.94 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.458 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.717 HD11 ' HG2' ' A' ' 54' ' ' LYS . 6.2 mt -94.38 -32.84 13.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.498 ' C ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -114.51 178.85 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.963 -179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.582 ' HG3' HG23 ' A' ' 22' ' ' VAL . 1.3 tt0 -99.73 165.38 11.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 33.4 t80 -143.15 143.62 31.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mm -111.23 106.75 57.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.67 157.79 28.24 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.473 2.116 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.5 23.29 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.87 153.69 21.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.779 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -29.91 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.01 -14.75 61.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.336 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.93 134.33 41.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.854 0.359 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -97.89 161.16 13.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.46 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -97.72 107.17 19.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' A' ' 6' ' ' VAL . 3.1 mm? -73.04 99.79 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.759 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.28 127.97 32.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.582 HG23 ' HG3' ' A' ' 9' ' ' GLU . 21.7 t -59.31 128.74 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.67 83.12 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.938 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.54 132.99 44.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.921 0.391 . . . . 0.0 111.036 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 3' ' ' GLN . 12.2 tt -97.95 141.07 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.446 HG22 ' H ' ' A' ' 40' ' ' THR . 2.1 mp -123.82 136.63 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.09 119.47 22.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.65 HD11 ' HD2' ' A' ' 2' ' ' ARG . 16.8 pt -86.76 123.02 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -90.95 -46.08 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -167.39 164.68 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.124 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 37' ' ' TRP . 33.8 tt0 -92.33 128.18 38.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 33' ' ' GLU . 12.2 p -74.59 -44.37 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 32' ' ' VAL . 2.6 pt-20 -175.98 174.21 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.98 115.62 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.0 -25.88 13.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.628 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -128.14 154.1 46.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.968 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.544 ' HZ3' HD12 ' A' ' 28' ' ' ILE . 2.5 m95 -141.27 161.49 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -110.05 150.57 28.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.61 167.51 29.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.446 ' H ' HG22 ' A' ' 26' ' ' ILE . 4.5 m -155.25 128.81 8.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.838 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.32 -49.46 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -178.46 -49.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -119.55 -31.15 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -91.8 141.58 28.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.998 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 tp -133.18 141.64 48.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.791 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.6 -175.46 40.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.561 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -129.6 155.76 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.38 167.73 8.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.85 121.43 10.0 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.554 2.17 . . . . 0.0 112.338 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.406 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 10.0 t -61.13 -19.87 62.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -62.3 -27.11 68.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.116 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' O ' ' O ' ' A' ' 53' ' ' VAL . 9.0 m-85 -70.03 -89.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.799 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.823 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.7 m -16.64 145.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 113.034 0.754 . . . . 0.0 113.034 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.717 ' HG2' HD11 ' A' ' 7' ' ' LEU . 2.3 tptm -140.98 116.95 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 0.0 112.153 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 7.4 tt0 -68.1 133.13 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.876 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.848 0.356 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.437 ' HG3' HD11 ' A' ' 25' ' ' ILE . 27.7 pt20 -130.37 165.04 23.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.42 ' C ' HD12 ' A' ' 25' ' ' ILE . 9.1 m -147.36 153.0 39.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -124.94 126.8 46.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.061 0.458 . . . . 0.0 111.327 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 53' ' ' VAL . 5.4 t -61.45 143.91 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.451 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.882 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.6 pp -92.73 -24.49 18.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.306 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.882 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -114.83 178.97 4.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.923 0.392 . . . . 0.0 111.137 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.77 164.36 13.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -151.05 141.55 22.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.87 116.13 38.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.03 149.11 28.39 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.448 2.099 . . . . 0.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -103.78 -33.91 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -133.14 174.33 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.99 -32.22 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.8 -30.39 70.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -99.07 138.02 36.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.552 HD13 ' HA3' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -108.16 157.13 18.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -90.7 107.21 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.826 HD11 ' CG ' ' A' ' 48' ' ' PHE . 37.9 mt -88.39 122.74 32.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.013 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -97.14 152.34 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.656 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 7' ' ' LEU . 4.4 m -65.73 128.48 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.095 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.97 -5.7 84.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.989 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.02 132.64 34.01 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 111.169 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -102.19 140.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.613 HG13 HD12 ' A' ' 41' ' ' LEU . 3.4 mp -131.99 127.75 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.164 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.74 119.66 22.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 38' ' ' SER . 2.3 mp -69.2 136.19 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.57 -38.84 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.37 133.15 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -76.57 142.33 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.48 -50.82 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -176.69 176.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.58 66.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.87 -41.12 0.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -120.97 135.01 55.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.439 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 0.8 OUTLIER -124.77 159.55 30.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -110.06 157.47 19.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.75 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.07 151.72 22.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.621 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -123.47 131.67 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.723 0.296 . . . . 0.0 110.737 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.613 HD12 HG13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -123.2 82.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.197 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 56.48 85.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.249 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.5 m120 52.61 27.73 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.229 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.15 124.49 41.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.97 145.48 29.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.552 ' HA3' HD13 ' A' ' 18' ' ' LEU . . . -169.78 161.04 34.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.425 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mt -134.2 148.62 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.826 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.5 164.5 10.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.44 130.34 28.08 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.607 2.205 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.439 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 63.6 p -65.1 -19.82 66.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.23 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -62.29 -28.15 69.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.097 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.3 m-85 -77.38 -82.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.784 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.777 ' HA ' HG22 ' A' ' 6' ' ' VAL . 6.9 m -16.51 145.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.823 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.69 118.34 27.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.281 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -87.27 136.54 32.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.967 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.6 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.5 pp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.796 0.332 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -149.02 153.71 38.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 55.8 m -141.61 161.69 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 7.2 ttpt -123.71 126.27 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.421 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.729 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -62.9 143.94 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.35 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.855 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.1 pp -91.92 -22.71 19.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.302 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.855 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -119.47 178.98 4.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.875 0.369 . . . . 0.0 111.094 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.76 142.22 27.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.769 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -124.4 143.96 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.002 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.63 123.11 25.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.37 157.01 25.68 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.427 2.085 . . . . 0.0 112.47 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -136.68 -47.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -83.96 171.51 12.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -66.43 -31.34 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -96.65 41.85 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -130.48 123.49 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER -97.99 152.28 19.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.784 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.631 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.8 tt0 -86.0 107.28 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.756 HD13 ' CE2' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -101.92 93.81 5.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -79.34 153.24 29.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.8 128.78 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 -5.81 63.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.829 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.62 134.3 34.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.2 mt -99.82 139.96 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.681 HG12 HD11 ' A' ' 20' ' ' LEU . 3.5 mp -133.23 126.63 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.71 121.83 27.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -86.6 136.17 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.019 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.8 -46.01 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -167.35 164.57 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.0 152.44 29.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.78 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.864 HG21 HD21 ' A' ' 47' ' ' LEU . 17.5 t -119.23 -65.62 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.305 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.659 ' OE2' HG12 ' A' ' 32' ' ' VAL . 3.1 mp0 -120.68 161.56 21.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.008 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.79 112.62 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.0 19.93 60.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.424 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -147.13 120.83 9.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.792 0.33 . . . . 0.0 110.638 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -111.91 160.78 17.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.043 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.07 157.44 19.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.455 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -159.74 172.71 36.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.545 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.1 m -135.15 154.62 51.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -124.45 -74.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -141.0 -58.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -139.83 19.71 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -127.77 133.94 49.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.765 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.6 tp -132.87 137.19 46.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.711 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -175.65 177.08 47.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.864 HD21 HG21 ' A' ' 32' ' ' VAL . 6.7 mt -112.62 148.75 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.756 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -156.27 164.21 22.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.802 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.58 121.06 9.25 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.595 2.197 . . . . 0.0 112.37 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -19.67 65.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.216 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.11 -26.32 68.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.172 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' O ' ' O ' ' A' ' 53' ' ' VAL . 7.3 m-85 -71.76 -86.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.746 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.729 ' HA ' HG22 ' A' ' 6' ' ' VAL . 19.1 m -16.66 145.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.804 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.87 126.33 46.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.36 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.12 136.6 50.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.043 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -148.72 144.45 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HA ' HD23 ' A' ' 56' ' ' LEU . 17.0 m -147.76 143.03 27.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.637 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 1.4 tmmm? -121.38 126.47 49.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.165 0.507 . . . . 0.0 111.326 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.3 t -63.51 143.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.349 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.941 HD23 ' HG3' ' A' ' 54' ' ' LYS . 3.7 pp -95.57 -21.92 17.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.104 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.706 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -116.77 178.98 4.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.829 0.347 . . . . 0.0 110.829 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -107.46 154.03 21.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -137.56 144.25 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.43 107.04 47.71 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -78.66 -167.14 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.574 2.182 . . . . 0.0 112.274 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -158.18 -42.09 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -94.39 166.67 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.351 . . . . 0.0 111.068 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.55 -19.08 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.33 29.46 2.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.785 0.326 . . . . 0.0 111.056 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -143.93 121.51 11.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.746 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.524 HD23 ' HE2' ' A' ' 48' ' ' PHE . 34.6 tp -97.89 151.52 20.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.62 107.35 18.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.686 HD21 ' CE2' ' A' ' 48' ' ' PHE . 41.3 mt -80.04 110.65 15.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -91.22 142.63 27.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.4 HG12 ' CA ' ' A' ' 8' ' ' PHE . 4.8 m -63.75 128.78 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.01 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.41 -5.69 83.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.851 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.76 128.31 36.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.829 0.347 . . . . 0.0 111.021 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.752 HD12 HD21 ' A' ' 56' ' ' LEU . 3.3 tt -97.72 124.19 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.518 HG22 ' HA3' ' A' ' 39' ' ' GLY . 3.7 mp -110.38 123.12 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -74.19 119.56 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 38' ' ' SER . 14.8 pt -86.6 122.41 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -93.94 -44.84 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -157.6 163.3 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 125.91 37.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.562 HG13 ' HB2' ' A' ' 38' ' ' SER . 13.9 m -72.97 -37.27 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 32' ' ' VAL . 9.3 pt-20 -178.12 -178.94 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.54 102.29 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.77 -54.39 0.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -99.39 139.74 34.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.703 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -118.22 161.39 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.562 ' HB2' HG13 ' A' ' 32' ' ' VAL . 29.6 t -117.91 155.6 29.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.518 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -157.08 175.1 34.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.538 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.58 167.32 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.793 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.63 -53.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -166.16 82.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 60.61 21.52 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.68 118.34 23.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.73 146.17 33.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.723 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -166.34 169.12 40.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -127.14 153.52 45.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.686 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.35 164.21 11.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.06 122.8 12.33 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.608 2.205 . . . . 0.0 112.259 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 t -64.37 -20.37 66.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -62.42 -26.82 68.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.563 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-85 -72.95 -84.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.788 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.785 ' HA ' HG22 ' A' ' 6' ' ' VAL . 16.6 m -16.56 145.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.941 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -125.59 116.67 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.412 179.184 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.8 136.52 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.752 HD21 HD12 ' A' ' 25' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.736 0.303 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -147.14 147.29 30.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.3 m -148.04 149.74 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -117.08 126.48 52.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 111.226 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.732 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -61.84 143.75 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.312 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.843 HD23 ' HG3' ' A' ' 54' ' ' LYS . 3.8 pp -96.63 -21.46 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.157 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.506 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -118.74 178.96 4.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.849 0.356 . . . . 0.0 111.01 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.36 150.16 27.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.744 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.497 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 44.4 t80 -132.99 144.17 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.018 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 mm -116.98 106.96 46.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.85 155.48 48.6 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.457 2.105 . . . . 0.0 112.425 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -107.55 -31.2 8.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.793 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -118.57 167.59 11.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -30.41 70.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -63.49 -23.86 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -99.02 134.62 41.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.992 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD13 ' H ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -97.96 154.78 17.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.49 ' H ' HD13 ' A' ' 18' ' ' LEU . 2.3 tt0 -92.64 107.58 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.647 HD21 ' CG ' ' A' ' 48' ' ' PHE . 3.4 mm? -68.7 106.77 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -82.97 124.69 30.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.73 128.86 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.37 -5.76 83.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.26 133.93 38.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.847 0.356 . . . . 0.0 111.136 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.62 HD12 HD21 ' A' ' 56' ' ' LEU . 1.9 tt -96.95 124.18 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.99 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.554 HG12 HD11 ' A' ' 41' ' ' LEU . 2.1 mt -111.02 137.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -94.59 119.85 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 38' ' ' SER . 2.4 mt -78.01 136.21 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -97.21 -46.11 6.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -167.45 148.06 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.17 151.57 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.717 HG21 HD23 ' A' ' 47' ' ' LEU . 21.5 t -117.04 -57.89 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.213 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.486 ' OE2' HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -143.76 165.76 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.51 114.56 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.663 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.68 -20.85 47.83 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.45 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -106.55 109.46 21.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 11.6 m0 -112.03 161.8 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.03 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.791 ' O ' HG23 ' A' ' 28' ' ' ILE . 1.5 t -109.81 157.5 19.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.996 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.52 164.64 30.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.0 m -118.92 136.02 54.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HG12 ' A' ' 26' ' ' ILE . 22.3 mt -145.93 94.75 2.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m120 67.77 60.85 0.44 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.21 25.73 11.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.357 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -127.73 130.77 49.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mp -104.5 124.29 49.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.481 ' HA3' HD23 ' A' ' 18' ' ' LEU . . . -137.63 143.05 14.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.34 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.717 HD23 HG21 ' A' ' 32' ' ' VAL . 1.1 mp -102.17 148.57 25.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.995 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.647 ' CG ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.52 167.53 8.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.874 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.87 121.2 9.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.627 2.218 . . . . 0.0 112.519 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.443 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 89.4 p -65.14 -19.61 66.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.342 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -61.98 -18.57 60.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.398 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' O ' ' A' ' 53' ' ' VAL . 28.5 m-85 -79.82 -87.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.65 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.732 ' HA ' HG22 ' A' ' 6' ' ' VAL . 29.7 m -16.73 145.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.843 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -124.89 132.03 53.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.979 0.418 . . . . 0.0 111.473 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -73.43 136.58 44.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.62 HD21 HD12 ' A' ' 25' ' ' ILE . 4.2 mm? . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.804 0.335 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -139.25 146.63 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.7 m -144.81 149.29 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.716 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' LYS . 5.3 ttmt -117.16 126.26 52.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.295 0.569 . . . . 0.0 111.536 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.875 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.8 t -69.14 144.05 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.22 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.767 HD21 ' HD2' ' A' ' 54' ' ' LYS . 2.5 mt -91.72 -27.63 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.433 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -116.23 178.85 4.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.785 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.67 149.21 28.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -127.57 143.72 51.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 11' ' ' ILE . 19.7 tt -117.05 120.62 33.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.7 144.38 35.23 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.407 2.072 . . . . 0.0 112.383 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -37.33 4.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.87 166.55 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.5 -28.76 69.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -94.66 43.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -138.6 133.46 32.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.872 HD11 ' HG2' ' A' ' 44' ' ' LYS . 5.6 tp -97.95 162.15 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -105.29 107.35 18.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.508 HD11 ' CG ' ' A' ' 48' ' ' PHE . 22.7 mt -89.43 108.34 19.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 139.43 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 7' ' ' LEU . 8.7 p -59.32 128.87 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.25 -5.7 84.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.842 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -84.43 143.53 29.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.86 0.362 . . . . 0.0 111.049 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.484 HD13 ' HG3' ' A' ' 5' ' ' LYS . 18.7 mm -95.98 128.16 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 26' ' ' ILE . 3.6 mp -128.74 128.27 67.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.322 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -96.87 123.78 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 38' ' ' SER . 3.8 mp -77.04 125.8 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.69 -31.32 13.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -166.95 133.09 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.09 129.25 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.759 HG21 HD23 ' A' ' 47' ' ' LEU . 21.5 t -74.42 -64.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -167.02 178.47 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 85.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 -49.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.577 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -108.04 129.63 55.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.424 ' CE3' HG12 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -123.6 161.66 24.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.663 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -109.92 157.44 19.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.79 165.89 33.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 m -147.62 139.66 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.85 -32.67 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.13 -70.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -129.31 17.3 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.872 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -123.11 121.78 36.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.852 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.36 136.8 54.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.3 -174.91 29.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.406 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.759 HD23 HG21 ' A' ' 32' ' ' VAL . 5.7 mp -127.41 148.77 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -163.66 166.96 11.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 34.4 Cg_exo -57.93 121.07 9.38 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.498 2.132 . . . . 0.0 112.309 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.408 ' HB2' ' CG ' ' A' ' 37' ' ' TRP . 21.3 t -63.03 -19.8 64.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.192 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.28 -26.42 68.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.269 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' ' O ' ' A' ' 53' ' ' VAL . 3.8 m-85 -66.89 -90.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.875 ' HA ' HG22 ' A' ' 6' ' ' VAL . 11.3 m -16.75 145.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.767 ' HD2' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -137.26 116.35 12.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.01 0.433 . . . . 0.0 111.978 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.93 136.52 57.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.009 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.406 ' CD ' HD11 ' A' ' 28' ' ' ILE . 3.6 mmt180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -136.96 153.62 50.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 m -146.6 140.58 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.557 ' HB2' HD13 ' A' ' 25' ' ' ILE . 7.2 ttpt -123.96 125.51 44.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.187 0.518 . . . . 0.0 111.283 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.747 HG22 ' HA ' ' A' ' 53' ' ' VAL . 9.6 t -62.3 144.09 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.329 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.664 HD11 ' HG3' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -91.62 -24.83 19.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.64 ' C ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -114.54 179.0 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 111.044 -179.667 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.43 148.73 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -138.75 144.07 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -125.39 131.29 24.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.75 145.07 15.86 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.543 2.162 . . . . 0.0 112.393 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -128.15 -42.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -83.92 171.29 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.967 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.32 -37.16 84.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.22 58.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -140.5 124.32 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.54 153.55 19.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.47 107.2 17.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.654 HD13 ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -106.23 87.97 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 168.41 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.64 HG22 ' C ' ' A' ' 8' ' ' PHE . 30.5 t -66.51 128.76 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.34 -5.79 71.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.938 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.63 130.14 37.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.809 0.338 . . . . 0.0 111.065 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 5' ' ' LYS . 25.8 mm -95.91 128.15 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.646 HG12 HD11 ' A' ' 20' ' ' LEU . 3.4 mp -130.37 139.06 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.19 119.63 33.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.406 HD11 ' CD ' ' A' ' 2' ' ' ARG . 13.7 pt -83.64 135.96 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -108.91 -46.04 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -167.41 151.24 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.47 134.88 39.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.609 HG21 HD21 ' A' ' 47' ' ' LEU . 24.0 t -87.58 -67.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -134.75 170.85 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.6 90.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.36 -22.81 5.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.651 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.69 ' HB3' HD11 ' A' ' 47' ' ' LEU . 56.5 m95 -116.39 132.09 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 3.1 m0 -120.46 161.56 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.6 m -113.27 154.41 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.27 171.53 39.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 m -133.63 117.04 16.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.92 -62.56 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -133.01 -62.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.779 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -146.37 21.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.76 137.92 52.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.821 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 tt -110.45 111.54 22.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.63 -159.27 10.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -144.85 148.47 34.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.767 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -166.5 160.61 12.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.96 124.69 16.55 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.597 2.198 . . . . 0.0 112.311 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.418 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 46.8 t -63.64 -19.74 65.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.212 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.2 -25.68 67.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.583 ' O ' ' O ' ' A' ' 53' ' ' VAL . 6.7 m-85 -74.85 -89.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.704 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 6' ' ' VAL . 14.6 m -16.75 145.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.664 ' HG3' HD11 ' A' ' 7' ' ' LEU . 1.6 tmtm? -121.59 123.22 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 111.422 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -75.06 136.15 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.637 ' HB3' HD11 ' A' ' 25' ' ' ILE . 17.8 mt-30 -129.41 149.82 51.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.9 m -148.12 140.69 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 4.2 ttpt -119.93 126.5 51.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.096 0.474 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.787 HG22 ' HA ' ' A' ' 53' ' ' VAL . 5.4 t -61.77 143.93 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.452 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -95.17 -21.61 18.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.335 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.864 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -115.11 178.99 4.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.003 0.43 . . . . 0.0 111.232 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.97 141.17 36.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.786 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.411 ' O ' HD13 ' A' ' 11' ' ' ILE . 78.7 t80 -124.57 144.16 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 10' ' ' TYR . 30.0 mm -121.36 106.84 37.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.03 -167.42 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.471 2.114 . . . . 0.0 112.255 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -160.18 -45.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -92.25 167.14 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -25.09 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -93.57 43.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.029 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -143.93 131.88 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.688 HD23 ' N ' ' A' ' 19' ' ' GLU . 3.2 tt -97.91 163.7 12.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.688 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -102.58 107.28 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.819 HD21 ' CE2' ' A' ' 48' ' ' PHE . 82.0 mt -93.19 87.66 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.01 146.0 25.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.1 m -56.56 128.83 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.81 -5.66 64.13 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.748 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.72 135.7 33.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.859 0.362 . . . . 0.0 111.18 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.637 HD11 ' HB3' ' A' ' 3' ' ' GLN . 17.9 tt -116.13 124.18 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.468 HD12 ' CD2' ' A' ' 20' ' ' LEU . 34.0 mt -116.04 138.91 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.198 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.89 119.67 21.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.796 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.476 HG21 ' CZ3' ' A' ' 37' ' ' TRP . 43.6 pt -84.62 136.24 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -104.49 -43.21 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -167.41 163.17 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -112.17 133.41 54.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 33' ' ' GLU . 12.4 p -73.6 -43.08 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -174.8 -177.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -76.85 74.22 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.97 -43.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.399 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -124.34 148.38 47.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.798 0.333 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.476 ' CZ3' HG21 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -126.66 157.44 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -123.34 143.76 49.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.05 -174.31 21.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.563 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -157.74 109.51 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.02 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -128.96 -69.57 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.37 26.65 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -127.7 142.68 51.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.814 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tt -125.02 124.84 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.35 -172.2 12.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mp -137.97 148.73 45.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.819 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.44 163.41 11.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.95 126.5 21.86 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.6 2.2 . . . . 0.0 112.288 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 2.7 p -64.38 -20.02 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -62.45 -29.07 70.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.114 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' ' O ' ' A' ' 53' ' ' VAL . 10.0 m-85 -70.46 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.787 ' HA ' HG22 ' A' ' 6' ' ' VAL . 26.8 m -16.57 145.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.624 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -129.0 124.9 36.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.377 . . . . 0.0 111.374 179.067 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.411 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -87.28 136.57 32.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.971 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.817 0.341 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -141.44 148.13 39.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 96.9 m -148.17 144.24 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -120.12 126.56 51.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.055 0.455 . . . . 0.0 111.192 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.851 HG21 ' HB3' ' A' ' 20' ' ' LEU . 4.5 t -61.61 143.96 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.306 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.773 HD23 ' HG3' ' A' ' 54' ' ' LYS . 2.6 pp -92.52 -22.13 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.277 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.735 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -114.71 178.86 4.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.45 155.62 17.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 60.1 t80 -146.39 144.18 29.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.74 HG22 ' HG2' ' A' ' 13' ' ' GLN . 16.3 mm -112.73 106.92 55.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.99 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.78 -46.1 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.448 2.099 . . . . 0.0 112.451 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.74 ' HG2' HG22 ' A' ' 11' ' ' ILE . 36.0 mm-40 54.75 27.28 8.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.17 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -160.86 152.29 19.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -32.06 73.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.509 ' OD2' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -72.96 -29.22 62.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -99.02 138.99 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.663 HD23 ' N ' ' A' ' 19' ' ' GLU . 1.8 tt -97.92 163.58 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.663 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -92.65 107.19 19.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.804 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.851 ' HB3' HG21 ' A' ' 6' ' ' VAL . 2.9 mp -93.52 95.22 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -98.75 153.26 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 7' ' ' LEU . 21.8 t -57.93 128.81 19.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.92 83.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -86.15 128.22 34.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.998 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.7 tt -108.13 124.13 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 mp -110.29 137.85 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.8 119.54 24.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -86.6 117.19 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.036 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -91.9 -45.92 8.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.68 164.62 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HG2' ' CE2' ' A' ' 37' ' ' TRP . 2.2 mp0 -108.0 121.07 44.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.809 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.1 -41.58 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.28 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 177.68 -178.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -70.76 116.85 11.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.08 -27.24 10.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.406 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -133.25 135.3 44.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.436 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 5.0 m0 -123.22 161.59 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.414 ' HA ' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -111.45 131.53 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.57 -176.6 14.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -163.72 109.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -63.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -143.68 -61.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.8 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.36 22.58 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.022 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -127.75 130.41 48.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.11 117.63 34.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.45 141.05 9.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.53 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.509 HD12 ' OD2' ' A' ' 16' ' ' ASP . 2.6 mt -102.25 152.09 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.814 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.607 ' CD2' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -164.03 167.67 10.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.41 120.97 9.02 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 72.7 p -65.34 -20.35 66.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.225 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -62.38 -30.17 71.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.1 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.572 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.9 m-85 -67.54 -82.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.821 ' HA ' HG22 ' A' ' 6' ' ' VAL . 9.8 m -16.5 145.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.773 ' HG3' HD23 ' A' ' 7' ' ' LEU . 5.5 tttt -120.8 143.83 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.464 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -84.52 136.6 33.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 56' ' ' LEU . 5.9 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.808 0.337 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -129.78 152.91 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -147.9 154.67 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 1.2 ttpt -117.41 126.32 52.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 20' ' ' LEU . 4.8 t -61.72 143.69 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.426 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.988 HD23 ' HG3' ' A' ' 54' ' ' LYS . 4.3 pp -95.81 -24.94 16.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.252 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.687 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -114.77 178.95 4.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.951 0.405 . . . . 0.0 111.125 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -110.1 144.28 38.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.455 ' HB3' HD12 ' A' ' 20' ' ' LEU . 89.0 t80 -127.53 144.03 51.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.3 mp -110.69 106.95 58.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.94 145.01 42.76 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.427 2.085 . . . . 0.0 112.189 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -119.06 -40.34 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -115.33 170.05 8.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.51 -23.48 67.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.14 38.1 1.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -141.68 128.67 20.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.501 HD23 ' H ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -97.88 156.42 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.501 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.3 tm-20 -90.66 107.38 19.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.747 ' HB3' HG21 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -84.85 84.15 7.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -79.26 142.46 36.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.535 HG22 ' C ' ' A' ' 8' ' ' PHE . 24.7 t -65.17 130.45 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.56 -5.75 58.74 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.913 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.61 143.45 30.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.4 mt -102.03 139.45 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.711 HG21 ' HZ ' ' A' ' 48' ' ' PHE . 14.2 mt -125.13 127.75 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -96.52 119.59 35.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.795 HG23 ' O ' ' A' ' 38' ' ' SER . 3.9 mp -81.2 136.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -105.62 -43.86 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -150.24 148.14 28.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -83.64 118.61 23.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.813 HG21 HD23 ' A' ' 47' ' ' LEU . 31.9 t -63.22 -69.19 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -149.71 -177.8 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -74.42 64.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.54 -43.13 0.26 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -106.3 135.0 48.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.419 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.4 m0 -112.03 161.37 16.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.795 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -110.07 157.42 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.98 163.54 33.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.588 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.1 m -116.65 152.76 33.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.53 56.9 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.2 t30 59.93 89.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 60.85 19.79 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -127.75 108.82 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.01 138.71 38.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.454 ' N ' HD12 ' A' ' 18' ' ' LEU . . . 175.35 159.58 21.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.558 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.813 HD23 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -108.92 158.36 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.711 ' HZ ' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -166.37 162.66 11.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 18.1 Cg_endo -59.54 126.91 21.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.419 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 96.4 p -65.15 -19.82 66.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.451 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -25.01 67.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.312 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.58 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.8 m-85 -72.11 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.715 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.72 ' HA ' HG22 ' A' ' 6' ' ' VAL . 27.1 m -16.86 145.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.988 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -125.12 128.04 47.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.409 . . . . 0.0 111.572 179.283 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.96 136.49 48.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.593 0.235 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -152.34 143.87 23.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.892 0.377 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.8 m -148.45 162.81 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -127.18 125.75 41.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.078 0.466 . . . . 0.0 111.175 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.79 HG21 ' HB3' ' A' ' 20' ' ' LEU . 4.2 t -64.67 143.91 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.523 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.878 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.3 pp -98.57 -26.4 14.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.878 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -114.75 178.87 4.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.881 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.43 148.77 22.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.462 ' CG ' HD12 ' A' ' 20' ' ' LEU . 82.0 t80 -126.07 143.53 51.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 mt -125.34 106.93 27.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.61 167.75 23.67 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.542 2.162 . . . . 0.0 112.37 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.59 26.07 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -160.98 163.03 32.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.03 -20.44 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.26 32.14 2.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.083 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -143.94 126.49 15.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.91 152.51 19.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -85.94 107.26 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.79 ' HB3' HG21 ' A' ' 6' ' ' VAL . 2.5 mt -81.87 101.28 10.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 147.3 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 t -62.74 128.84 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.1 -5.87 81.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.929 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.44 144.5 26.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.4 mt -113.87 143.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.987 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.17 139.1 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.82 121.41 38.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 38' ' ' SER . 3.6 mp -74.45 130.33 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -92.83 -45.97 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -162.82 129.67 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.31 148.78 29.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.69 -58.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -166.17 178.95 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.81 74.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.51 -66.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -103.86 136.8 42.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -123.26 161.62 24.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 28' ' ' ILE . 2.4 m -110.01 155.3 22.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.71 157.67 28.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.573 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.71 141.61 34.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.72 -51.86 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -154.53 -73.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.31 -18.55 11.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.246 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.57 146.61 24.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.868 0.366 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.19 123.11 25.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.01 167.46 27.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.543 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mp -121.7 158.82 27.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.776 ' CZ ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.34 167.15 8.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.94 122.11 11.16 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.54 2.16 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.6 t -64.72 -19.69 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.236 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.19 -28.04 69.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' O ' ' A' ' 53' ' ' VAL . 4.4 m-85 -71.96 -87.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.74 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.752 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.3 m -16.65 145.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.603 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -120.83 123.09 41.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.393 . . . . 0.0 111.536 179.351 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.01 134.42 56.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.5 pp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.9 ttm105 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -134.89 153.88 51.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -148.09 147.77 29.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.466 ' HB3' HG12 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -117.54 126.76 53.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.993 0.425 . . . . 0.0 111.031 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.773 HG22 ' HA ' ' A' ' 53' ' ' VAL . 22.3 t -61.09 143.87 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.326 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.3 pp -93.78 -24.07 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.677 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.859 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -114.42 178.9 4.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.888 0.375 . . . . 0.0 111.098 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -100.67 157.36 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.417 ' CD2' HD12 ' A' ' 20' ' ' LEU . 44.7 t80 -148.74 144.14 26.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.6 mm -119.47 107.03 41.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.01 -167.8 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.441 2.094 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -168.36 -43.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -84.93 160.99 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.05 -29.13 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.15 44.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -143.87 126.15 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 4.0 tp -101.6 163.74 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -90.5 107.34 19.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.851 HD11 ' HB2' ' A' ' 48' ' ' PHE . 5.1 mt -83.91 79.57 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 142.39 36.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 ' C ' ' A' ' 8' ' ' PHE . 26.2 t -64.59 128.73 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.43 -5.89 80.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.911 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.12 130.36 35.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.834 0.317 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.466 HG12 ' HB3' ' A' ' 5' ' ' LYS . 7.3 mt -95.95 130.27 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.41 HG22 ' HA3' ' A' ' 39' ' ' GLY . 3.0 mp -127.45 119.8 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.743 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -74.13 119.3 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.183 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.0 pt -86.95 125.12 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.72 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -104.86 -46.05 4.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.446 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -124.67 148.13 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 111.201 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.61 107.03 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.639 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.56 -50.83 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.083 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.62 -172.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -82.94 58.07 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.88 -47.44 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.351 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -126.55 123.38 37.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 110.755 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.444 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 27.6 m0 -113.06 158.44 20.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.87 144.51 42.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.814 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -154.12 179.07 30.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.609 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -134.85 140.4 45.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.82 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -78.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -116.5 -17.51 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.493 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -178.38 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.748 0.309 . . . . 0.0 111.21 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -86.48 138.26 31.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.97 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mp -103.41 147.02 27.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.56 176.1 27.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.349 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.18 148.66 51.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.851 ' HB2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.64 167.9 7.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.441 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 39.8 Cg_exo -57.69 121.01 9.29 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.474 2.116 . . . . 0.0 112.238 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 21.0 p -65.13 -19.88 66.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.328 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -62.29 -21.4 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.343 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' O ' ' O ' ' A' ' 53' ' ' VAL . 5.9 m-85 -77.33 -78.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.773 ' HA ' HG22 ' A' ' 6' ' ' VAL . 5.8 m -16.32 144.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.804 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -134.43 117.87 16.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.334 179.177 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.03 136.62 56.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.4 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -140.38 144.21 36.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -148.03 148.51 30.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 2.8 ttpt -117.16 125.55 51.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.516 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.79 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.3 t -66.68 143.8 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.514 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.792 HD12 ' N ' ' A' ' 8' ' ' PHE . 3.6 pp -96.47 -25.1 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.95 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.792 ' N ' HD12 ' A' ' 7' ' ' LEU . 1.3 m-85 -114.75 178.93 4.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.793 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -104.91 155.34 19.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -134.38 143.39 47.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.539 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.6 mp -119.33 106.95 41.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.249 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -78.05 164.16 27.49 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.528 2.152 . . . . 0.0 112.38 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.91 33.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -151.17 173.36 14.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.74 -31.26 71.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.761 ' OD2' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -114.14 56.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -143.3 121.52 12.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.521 HD13 ' HA3' ' A' ' 46' ' ' GLY . 2.0 tp -99.56 163.66 12.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -105.92 107.28 18.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.821 HD11 ' CG ' ' A' ' 48' ' ' PHE . 5.3 mt -91.34 118.69 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -97.76 138.67 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.755 HG22 ' C ' ' A' ' 8' ' ' PHE . 19.4 t -63.69 128.85 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.97 -5.76 76.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.903 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -98.27 154.12 18.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.404 HG12 ' HB2' ' A' ' 5' ' ' LYS . 6.8 mt -106.84 142.87 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mp -130.28 132.29 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.27 124.98 33.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.575 HD12 ' H ' ' A' ' 28' ' ' ILE . 3.7 mp -73.47 129.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -96.43 -39.76 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.37 131.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.404 ' OE2' ' CZ2' ' A' ' 37' ' ' TRP . 5.3 tt0 -75.9 117.01 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.24 -66.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -162.52 -177.37 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.73 76.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.82 -43.22 0.55 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -109.93 132.75 53.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.409 ' CD1' ' OG ' ' A' ' 50' ' ' SER . 4.6 m0 -120.29 161.59 20.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.7 t -110.41 157.46 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.47 141.91 8.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.6 m -111.62 137.01 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.1 119.52 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 62.4 41.55 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 61.96 32.51 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.61 127.45 43.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.12 146.19 30.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.521 ' HA3' HD13 ' A' ' 18' ' ' LEU . . . -161.47 -173.18 29.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.761 HD13 ' OD2' ' A' ' 16' ' ' ASP . 4.5 mp -135.4 148.79 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.821 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -165.32 157.71 13.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.73 137.15 78.43 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.641 2.227 . . . . 0.0 112.424 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.409 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -65.29 -19.46 65.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.312 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -62.12 -17.78 58.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.397 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.581 ' O ' ' O ' ' A' ' 53' ' ' VAL . 14.3 m-85 -82.53 -93.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.642 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.79 ' HA ' HG22 ' A' ' 6' ' ' VAL . 6.9 m -16.81 144.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.747 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -133.44 116.52 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.959 0.409 . . . . 0.0 111.469 179.176 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.66 136.52 49.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.976 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -135.94 144.42 45.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 m -146.96 142.86 27.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HB2' HD13 ' A' ' 25' ' ' ILE . 13.7 ttpp -117.14 126.25 52.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 0.0 111.304 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.703 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.4 t -62.66 143.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.294 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.728 HD12 ' N ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -95.65 -23.32 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.368 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.728 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -119.21 178.94 4.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.889 0.376 . . . . 0.0 111.173 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.576 ' HG3' HG12 ' A' ' 22' ' ' VAL . 3.6 mt-10 -107.36 142.54 37.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.404 ' CB ' HD12 ' A' ' 20' ' ' LEU . 71.3 t80 -130.26 144.08 51.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.1 tt -117.7 111.95 39.14 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.99 172.68 14.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.361 2.04 . . . . 0.0 112.249 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -152.88 26.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -161.0 162.73 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -62.85 -28.71 70.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -97.92 31.12 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -130.83 125.51 33.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.773 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -97.82 161.69 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -102.33 107.24 18.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.844 HD11 ' HB2' ' A' ' 48' ' ' PHE . 1.9 mt -79.68 86.03 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.624 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.24 127.3 31.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.576 HG12 ' HG3' ' A' ' 9' ' ' GLU . 10.7 p -59.32 132.7 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.985 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.27 -5.82 82.7 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.754 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -93.53 141.63 28.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 5' ' ' LYS . 25.6 mm -95.95 124.24 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.478 HG23 HD12 ' A' ' 41' ' ' LEU . 4.1 mp -116.33 138.0 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.008 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.2 119.66 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.607 HG21 ' CZ3' ' A' ' 37' ' ' TRP . 19.5 pt -86.57 129.02 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.995 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -110.92 -46.0 3.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.05 145.83 38.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -100.49 113.74 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.739 HG21 HD21 ' A' ' 47' ' ' LEU . 24.9 t -60.14 -67.42 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -172.17 -178.08 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.61 75.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.27 -28.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.535 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -135.33 139.9 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.607 ' CZ3' HG21 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -124.91 156.0 38.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.04 135.36 54.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -155.99 -172.32 23.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -149.94 135.35 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.8 mp -100.56 -74.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -132.2 81.7 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.7 t30 60.61 24.07 13.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.026 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -127.67 115.6 18.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.28 143.96 32.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.438 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -168.72 -160.71 17.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.739 HD21 HG21 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -137.32 154.45 50.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.843 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.844 ' HB2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.44 166.29 9.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.7 121.05 9.22 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.606 2.204 . . . . 0.0 112.218 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.2 p -61.7 -20.77 63.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -62.47 -30.26 71.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' O ' ' O ' ' A' ' 53' ' ' VAL . 2.8 m-85 -65.42 -90.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.72 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.703 ' HA ' HG22 ' A' ' 6' ' ' VAL . 31.3 m -16.9 145.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.655 ' HD2' HD23 ' A' ' 7' ' ' LEU . 1.1 ttpt -130.08 116.68 18.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.398 . . . . 0.0 111.635 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 136.3 37.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.824 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -146.98 144.28 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.2 m -145.95 141.56 27.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.654 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -117.04 126.25 52.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 111.481 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.848 HG22 ' HA ' ' A' ' 53' ' ' VAL . 6.0 t -66.28 144.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.143 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.772 HD11 ' HG3' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -91.25 -30.61 16.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.979 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -114.69 178.96 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.161 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.05 157.47 17.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.465 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 56.5 t80 -134.04 144.09 48.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.7 mm -104.4 106.86 55.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.18 166.63 27.41 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.443 2.096 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.2 36.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -140.59 165.36 27.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -30.56 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.91 64.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -140.57 123.89 16.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.0 tp -97.94 154.97 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.05 107.27 19.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.785 ' HB3' HG21 ' A' ' 6' ' ' VAL . 24.5 mt -87.74 87.72 7.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 158.36 27.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 7' ' ' LEU . 9.8 p -68.86 128.78 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.25 -5.73 83.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.877 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -79.98 133.27 36.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.0 111.099 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.607 ' O ' HD12 ' A' ' 41' ' ' LEU . 20.4 mm -96.13 124.14 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.544 HD13 ' O ' ' A' ' 25' ' ' ILE . 25.4 mm -129.39 130.37 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.279 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.75 126.52 41.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 38' ' ' SER . 3.3 mt -68.78 136.05 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -109.42 -30.33 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -161.08 129.65 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -93.33 118.39 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.585 HG12 ' HG2' ' A' ' 33' ' ' GLU . 39.0 t -66.2 -72.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.585 ' HG2' HG12 ' A' ' 32' ' ' VAL . 4.1 mm-40 -137.9 -69.24 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -169.47 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.15 -27.46 52.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.368 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.411 ' CZ3' ' HG3' ' A' ' 49' ' ' PRO . 72.6 m95 -119.06 115.92 25.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.664 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.432 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 16.6 m0 -113.38 161.8 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.9 m -109.85 157.5 19.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.774 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -151.16 166.04 30.44 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.4 m -163.5 101.59 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 25' ' ' ILE . 7.2 tt -73.53 -68.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -140.63 -62.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -131.93 31.08 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -127.44 116.29 20.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mp -117.42 129.85 56.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.85 167.42 39.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.29 152.26 30.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -162.35 165.61 15.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HG3' ' CZ3' ' A' ' 36' ' ' TRP . 37.3 Cg_exo -57.76 126.58 22.2 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.616 2.211 . . . . 0.0 112.507 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 17.4 t -61.89 -19.77 63.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.197 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -62.05 -25.14 67.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.173 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' O ' ' A' ' 53' ' ' VAL . 24.8 m-85 -70.57 -91.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.612 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.848 ' HA ' HG22 ' A' ' 6' ' ' VAL . 5.6 m -16.79 145.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.772 ' HG3' HD11 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -137.24 116.47 12.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 111.715 179.314 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 135.96 57.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.773 0.32 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -137.75 151.46 48.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 m -145.66 147.22 31.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -119.88 126.75 51.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.039 0.447 . . . . 0.0 111.456 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.817 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.5 t -61.6 143.75 14.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.19 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.769 HD12 ' N ' ' A' ' 8' ' ' PHE . 3.6 pp -93.47 -23.1 18.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.043 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.769 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -114.85 179.04 4.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.928 0.394 . . . . 0.0 111.021 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.502 ' OE2' HG12 ' A' ' 22' ' ' VAL . 5.5 mm-40 -99.26 171.0 8.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -155.01 144.18 21.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.05 107.87 51.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.58 151.43 82.86 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.411 2.074 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.71 28.11 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.93 164.01 31.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.03 -30.16 70.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.08 31.76 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.5 127.47 47.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 12.4 tp -97.91 158.89 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.724 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -98.3 107.11 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.055 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 48' ' ' PHE . 2.8 mm? -73.97 105.05 5.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.4 129.96 39.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.799 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 7' ' ' LEU . 9.6 p -53.44 128.64 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.97 -5.84 84.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.718 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -90.45 133.01 35.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.786 0.327 . . . . 0.0 110.933 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -95.87 140.61 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.42 139.52 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.73 119.69 33.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.846 HG23 ' O ' ' A' ' 38' ' ' SER . 1.8 mp -81.56 136.06 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -94.79 -46.11 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.46 163.25 14.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -80.55 108.88 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.76 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.745 HG21 HD21 ' A' ' 47' ' ' LEU . 22.4 m -63.0 -46.65 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.495 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' N ' HG23 ' A' ' 32' ' ' VAL . 2.4 mm-40 -150.54 -175.85 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.053 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -87.69 53.21 2.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.42 -36.61 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.026 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.403 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 29.4 m95 -106.62 150.45 26.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.718 0.294 . . . . 0.0 110.447 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -122.63 161.72 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 111.089 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.846 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -109.82 157.53 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.892 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.64 162.67 29.15 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.643 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.96 131.25 30.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.727 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.06 95.37 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.105 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 63.03 66.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.216 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t30 56.5 31.7 19.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.292 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -114.55 132.42 56.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.757 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.5 133.67 55.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.97 167.66 38.12 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.375 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.745 HD21 HG21 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -126.1 148.47 49.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.786 ' CD2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.6 166.01 9.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.89 122.65 11.29 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.646 2.23 . . . . 0.0 112.347 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.0 t -65.26 -19.86 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.313 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.26 -20.71 64.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.413 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.566 ' O ' ' O ' ' A' ' 53' ' ' VAL . 6.0 m-85 -78.07 -84.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.982 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.817 ' HA ' HG22 ' A' ' 6' ' ' VAL . 31.5 m -16.43 145.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.577 ' HD2' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -123.13 131.75 53.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.438 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.18 135.73 33.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.809 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.79 0.329 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.691 ' HB3' HD11 ' A' ' 28' ' ' ILE . 19.2 mtt180 61.88 149.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.401 ' NE2' HG23 ' A' ' 25' ' ' ILE . 2.8 tt0 -145.73 144.05 30.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.7 m -148.14 142.12 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HB2' HD13 ' A' ' 25' ' ' ILE . 4.1 ttpt -119.58 126.23 50.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.05 0.452 . . . . 0.0 111.198 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.8 t -63.54 144.06 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.22 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.818 HD12 ' N ' ' A' ' 8' ' ' PHE . 0.7 OUTLIER -91.73 -26.72 18.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.406 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.818 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -127.27 178.97 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.86 0.362 . . . . 0.0 111.071 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -94.59 153.84 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -126.91 144.12 51.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.609 ' O ' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -118.4 106.84 44.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.025 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -77.74 153.14 29.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.51 2.14 . . . . 0.0 112.408 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -113.23 -34.92 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -103.89 163.39 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -30.85 71.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' O ' HD12 ' A' ' 47' ' ' LEU . 12.1 m-20 -70.29 -13.43 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.306 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -99.07 134.28 42.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.879 0.371 . . . . 0.0 110.95 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 19' ' ' GLU . 0.5 OUTLIER -98.33 163.67 12.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.547 ' N ' HD23 ' A' ' 18' ' ' LEU . 18.9 tt0 -98.47 107.26 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.997 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.612 ' HB3' HG21 ' A' ' 6' ' ' VAL . 4.7 mt -81.68 111.44 17.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.33 137.95 32.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.807 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 7' ' ' LEU . 9.9 p -67.03 128.67 30.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.11 -5.83 84.07 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.864 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.438 ' OD1' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -85.29 140.57 30.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.861 0.362 . . . . 0.0 110.961 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 5' ' ' LYS . 21.3 mm -95.85 127.25 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.449 ' CD1' HD23 ' A' ' 20' ' ' LEU . 28.5 mt -124.32 127.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.1 119.61 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.774 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.691 HD11 ' HB3' ' A' ' 2' ' ' ARG . 38.7 pt -86.55 133.06 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -104.05 -45.79 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -162.73 142.47 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 107.79 19.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.2 t -60.07 -41.01 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -144.97 172.85 12.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -29.97 68.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -102.15 -36.54 3.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -100.9 121.52 41.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -116.68 161.48 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.9 m -111.79 157.39 20.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.31 176.22 40.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.5 m -143.61 115.8 8.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.438 HD21 ' OD1' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -79.08 -76.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -115.68 -73.04 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -137.6 26.0 2.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -127.69 147.2 50.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.01 141.68 51.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.483 ' HA3' HD12 ' A' ' 18' ' ' LEU . . . -168.37 -172.95 35.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.508 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 16' ' ' ASP . 0.8 OUTLIER -130.5 158.57 39.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.827 0.346 . . . . 0.0 110.92 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.601 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.46 160.81 12.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.04 127.75 26.22 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.632 2.221 . . . . 0.0 112.409 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.13 -19.5 66.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.339 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -62.01 -24.82 67.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.355 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' O ' ' A' ' 53' ' ' VAL . 17.6 m-85 -76.76 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.677 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.716 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.5 m -16.72 145.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.52 116.68 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.905 0.383 . . . . 0.0 111.471 179.407 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -64.16 136.55 57.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.033 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -100.77 -72.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 60.13 110.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.2 mt -138.76 147.59 42.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -77.06 -55.49 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.913 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mmt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.781 0.324 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -147.75 148.92 31.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -151.18 149.71 29.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.8 m -148.17 149.5 32.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.537 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -117.03 126.2 52.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.146 0.498 . . . . 0.0 111.202 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.736 HG21 HD22 ' A' ' 20' ' ' LEU . 3.2 t -64.33 143.7 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.506 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.893 HD23 ' HG3' ' A' ' 54' ' ' LYS . 4.4 pp -95.22 -21.16 18.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.819 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.561 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -114.61 178.91 4.11 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.752 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -100.21 168.21 9.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -155.04 144.22 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.527 ' O ' HG23 ' A' ' 11' ' ' ILE . 1.3 tp -117.18 118.77 35.54 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.94 127.66 13.94 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.384 2.056 . . . . 0.0 112.334 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -39.08 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -89.83 167.43 12.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -37.13 83.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -96.23 48.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -140.41 126.38 19.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.94 163.69 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -93.99 107.27 19.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.885 HD11 ' CG ' ' A' ' 48' ' ' PHE . 7.3 mt -88.56 91.57 8.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -79.31 140.24 37.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.749 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -59.28 128.82 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.058 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.2 -5.8 65.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -93.56 126.64 38.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.8 0.333 . . . . 0.0 110.992 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.413 ' O ' HG23 ' A' ' 25' ' ' ILE . 16.6 tt -98.01 127.64 50.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.627 ' CD1' HD23 ' A' ' 20' ' ' LEU . 20.3 mt -120.73 138.57 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.22 119.58 24.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.8 pt -80.86 134.6 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -97.41 -46.16 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -167.38 164.78 15.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 111.132 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' NE1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -97.88 147.99 23.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.548 HG21 HD21 ' A' ' 47' ' ' LEU . 21.8 t -98.6 -62.54 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.14 -174.39 4.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -84.67 59.78 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.64 -41.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.528 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -127.0 132.7 50.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.438 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 10.7 m0 -113.08 161.66 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 m -110.0 157.46 19.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.37 172.37 31.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.483 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 52.4 m -142.33 144.58 33.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.329 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.438 HD12 HG12 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -146.07 113.49 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.972 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.41 -83.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -145.55 16.57 1.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.237 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.85 128.5 45.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.774 0.321 . . . . 0.0 110.858 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 45' ' ' LEU . 2.0 pt? -121.78 137.77 54.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.17 165.58 27.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.381 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.548 HD21 HG21 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -110.54 148.63 31.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.378 . . . . 0.0 110.904 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.885 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.48 167.21 8.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 33.0 Cg_exo -57.83 120.86 9.04 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.557 2.171 . . . . 0.0 112.373 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.438 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 13.7 p -65.31 -19.91 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.269 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -62.32 -22.7 66.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.281 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' ' O ' ' A' ' 53' ' ' VAL . 5.6 m-85 -76.64 -86.92 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.735 ' HA ' HG22 ' A' ' 6' ' ' VAL . 9.4 m -16.59 145.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.893 ' HG3' HD23 ' A' ' 7' ' ' LEU . 3.7 tttt -127.02 125.68 41.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.981 0.42 . . . . 0.0 111.561 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.83 136.63 38.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.938 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.41 97.82 11.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.998 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -95.87 169.52 9.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.4 mt -59.73 154.43 18.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -160.44 -44.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.1 m80 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.891 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 mtp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.843 0.354 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -87.93 114.66 24.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.614 ' HB3' HD11 ' A' ' 25' ' ' ILE . 55.3 mt-30 -130.56 151.81 50.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.419 ' HA ' HD23 ' A' ' 56' ' ' LEU . 19.4 m -148.01 148.35 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -128.25 126.99 41.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.051 0.453 . . . . 0.0 111.187 179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.826 HG22 ' HA ' ' A' ' 53' ' ' VAL . 4.4 t -61.51 143.75 14.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.8 HD23 ' HG3' ' A' ' 54' ' ' LYS . 3.6 pp -96.35 -21.17 17.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.681 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -114.59 179.0 4.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 111.005 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -104.58 149.64 25.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -138.36 134.27 34.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.0 mt -103.34 106.84 53.51 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -78.84 128.36 8.43 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.542 2.161 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -95.93 -30.35 13.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -100.88 154.93 18.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.32 -33.73 76.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -65.37 -18.06 65.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.257 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.02 141.57 31.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.852 0.358 . . . . 0.0 111.007 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.659 HD23 ' H ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -103.1 158.64 16.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.659 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.4 tt0 -89.21 109.13 20.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.66 ' HB3' HG21 ' A' ' 6' ' ' VAL . 3.1 mp -90.51 110.07 21.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -99.26 163.28 12.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -68.09 128.82 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.404 ' HA2' ' HE2' ' A' ' 5' ' ' LYS . . . 90.48 -5.89 82.42 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.881 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -79.5 132.73 36.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.002 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.614 HD11 ' HB3' ' A' ' 3' ' ' GLN . 16.8 tt -113.26 124.17 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.468 HG22 ' HA3' ' A' ' 39' ' ' GLY . 3.7 mp -114.95 125.92 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.15 119.52 18.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.791 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.0 pt -86.56 136.16 23.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.27 -45.94 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.77 164.74 26.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 6.2 mt-10 -95.11 152.59 18.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.9 t -89.03 -66.62 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.91 -72.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.134 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -173.88 35.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.19 -51.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.333 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.743 ' HB3' HD13 ' A' ' 47' ' ' LEU . 16.2 m95 -101.38 131.15 47.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 110.61 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.44 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 6.3 m0 -111.96 159.74 18.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.025 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -110.06 135.72 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.824 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -147.1 177.63 25.26 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.542 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.0 m -132.58 127.31 34.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.38 30.44 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.8 t30 57.99 21.82 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 176.46 -43.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.727 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.528 ' HB3' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -99.42 145.29 27.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.22 123.32 31.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.589 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -172.1 160.0 31.37 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.584 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 36' ' ' TRP . 3.9 pp -107.54 161.89 14.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CD2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.49 167.74 7.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.048 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.86 124.6 16.37 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.64 2.227 . . . . 0.0 112.393 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.44 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 10.8 t -65.14 -19.68 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.251 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -25.62 67.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.168 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.556 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-85 -76.67 -85.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.727 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.826 ' HA ' HG22 ' A' ' 6' ' ' VAL . 27.2 m -16.54 145.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.8 ' HG3' HD23 ' A' ' 7' ' ' LEU . 10.0 tttt -122.8 120.15 32.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.313 179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.86 136.58 57.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD21 HD12 ' A' ' 25' ' ' ILE . 3.6 mm? -67.65 104.55 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.99 95.36 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 mp -140.45 127.54 20.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.26 117.13 26.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.839 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mtt . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.89 0.376 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 59.76 79.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.522 ' HB3' HD11 ' A' ' 25' ' ' ILE . 14.5 mt-30 -141.05 151.0 43.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.6 m -146.03 140.63 26.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.488 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -117.28 126.17 52.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.199 0.523 . . . . 0.0 111.409 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.852 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -64.64 144.01 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.25 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.609 HD11 ' HG2' ' A' ' 54' ' ' LYS . 3.3 mt -97.27 -21.35 17.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.025 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.519 ' H ' HG12 ' A' ' 6' ' ' VAL . 11.2 m-85 -114.63 178.9 4.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.864 0.364 . . . . 0.0 111.018 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.78 161.45 14.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.061 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 60.6 t80 -149.84 144.06 25.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.9 mp -108.43 106.84 59.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.167 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -79.94 -44.97 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.473 2.116 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HG2' HG22 ' A' ' 11' ' ' ILE . 11.3 mm-40 54.65 29.69 11.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.057 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -160.87 152.87 19.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.05 -31.59 72.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.15 -35.89 74.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -99.54 134.59 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD11 ' HG3' ' A' ' 44' ' ' LYS . 5.7 tp -97.91 149.81 22.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -83.03 107.28 15.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.744 HD22 HG21 ' A' ' 6' ' ' VAL . 40.7 mt -87.41 84.04 7.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.769 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 tttm -79.29 143.96 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 7' ' ' LEU . 10.0 p -58.22 134.69 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.22 -5.83 75.25 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.765 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.48 130.83 44.54 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.795 0.331 . . . . 0.0 111.0 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.522 HD11 ' HB3' ' A' ' 3' ' ' GLN . 2.2 tt -106.43 125.47 62.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.567 HD13 ' CD2' ' A' ' 20' ' ' LEU . 3.5 mp -118.75 139.47 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.229 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -93.37 126.18 38.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.799 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.458 HD12 ' H ' ' A' ' 28' ' ' ILE . 1.9 mp -68.8 136.14 26.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -105.41 -36.22 7.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.37 129.66 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -77.33 122.82 25.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.628 HG12 ' HG3' ' A' ' 33' ' ' GLU . 24.3 t -70.64 -62.73 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.628 ' HG3' HG12 ' A' ' 32' ' ' VAL . 15.5 mt-10 -136.88 -159.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.688 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -92.34 30.63 1.44 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.869 0.366 . . . . 0.0 110.987 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -157.41 -43.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.972 -0.633 . . . . 0.0 112.208 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -95.64 131.28 42.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.791 0.329 . . . . 0.0 110.699 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.429 ' CE3' HG12 ' A' ' 28' ' ' ILE . 8.8 m0 -114.43 161.78 17.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.057 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 28' ' ' ILE . 8.0 t -109.86 157.53 19.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -141.59 151.99 23.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.447 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.0 m -136.79 111.76 8.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.37 87.24 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.46 -73.93 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -144.17 31.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.447 ' HG3' HD11 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -120.2 112.72 19.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.63 144.99 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 179.83 163.17 30.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.7 mt -123.97 148.79 46.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.649 ' CD1' HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -162.59 165.6 15.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.94 124.23 15.51 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.555 2.17 . . . . 0.0 112.34 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.405 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 16.9 t -64.01 -19.89 65.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -62.39 -28.69 69.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' O ' ' O ' ' A' ' 53' ' ' VAL . 16.7 m-85 -66.86 -88.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.712 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.852 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.5 m -16.73 145.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.609 ' HG2' HD11 ' A' ' 7' ' ' LEU . 6.7 tptt -135.24 117.5 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.075 0.464 . . . . 0.0 111.748 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.13 136.57 39.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.035 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.16 96.27 10.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.43 179.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.6 mt -101.1 -178.73 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -89.67 126.78 35.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.826 0.346 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.65 ' HD2' HD11 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -93.07 101.39 13.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.626 ' CB ' HD11 ' A' ' 25' ' ' ILE . 33.9 mt-30 -128.04 157.37 40.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.821 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 55' ' ' GLU . 14.5 m -145.77 141.16 27.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -117.23 126.06 52.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.262 0.553 . . . . 0.0 111.432 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.823 HG22 ' HA ' ' A' ' 53' ' ' VAL . 18.2 t -62.52 143.94 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.458 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.717 HD11 ' HG2' ' A' ' 54' ' ' LYS . 6.2 mt -94.38 -32.84 13.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.946 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.498 ' C ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -114.51 178.85 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.963 -179.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.582 ' HG3' HG23 ' A' ' 22' ' ' VAL . 1.3 tt0 -99.73 165.38 11.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.052 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 33.4 t80 -143.15 143.62 31.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mm -111.23 106.75 57.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -78.67 157.79 28.24 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.473 2.116 . . . . 0.0 112.437 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.5 23.29 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.87 153.69 21.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.779 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 -29.91 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.01 -14.75 61.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.336 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.93 134.33 41.94 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.854 0.359 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -97.89 161.16 13.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.776 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.46 ' H ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -97.72 107.17 19.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.643 ' HB3' HG21 ' A' ' 6' ' ' VAL . 3.1 mm? -73.04 99.79 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.759 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.28 127.97 32.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.582 HG23 ' HG3' ' A' ' 9' ' ' GLU . 21.7 t -59.31 128.74 20.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.074 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.98 -5.67 83.12 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.938 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -99.54 132.99 44.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.921 0.391 . . . . 0.0 111.036 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.626 HD11 ' CB ' ' A' ' 3' ' ' GLN . 12.2 tt -97.95 141.07 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.446 HG22 ' H ' ' A' ' 40' ' ' THR . 2.1 mp -123.82 136.63 59.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.09 119.47 22.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.022 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.65 HD11 ' HD2' ' A' ' 2' ' ' ARG . 16.8 pt -86.76 123.02 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.952 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -90.95 -46.08 8.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.155 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -167.39 164.68 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.124 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.424 ' HG3' ' CD1' ' A' ' 37' ' ' TRP . 33.8 tt0 -92.33 128.18 38.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 33' ' ' GLU . 12.2 p -74.59 -44.37 47.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.01 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 32' ' ' VAL . 2.6 pt-20 -175.98 174.21 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.98 115.62 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.0 -25.88 13.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.628 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -128.14 154.1 46.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.968 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.544 ' HZ3' HD12 ' A' ' 28' ' ' ILE . 2.5 m95 -141.27 161.49 37.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -110.05 150.57 28.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.61 167.51 29.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.446 ' H ' HG22 ' A' ' 26' ' ' ILE . 4.5 m -155.25 128.81 8.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.809 0.338 . . . . 0.0 110.838 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.32 -49.46 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.8 p-10 -178.46 -49.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -119.55 -31.15 4.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -91.8 141.58 28.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.998 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.5 tp -133.18 141.64 48.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.791 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -172.6 -175.46 40.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.561 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mt -129.6 155.76 45.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.63 ' CE2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.38 167.73 8.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -57.85 121.43 10.0 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.554 2.17 . . . . 0.0 112.338 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.406 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 10.0 t -61.13 -19.87 62.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -62.3 -27.11 68.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.116 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' O ' ' O ' ' A' ' 53' ' ' VAL . 9.0 m-85 -70.03 -89.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.799 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.823 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.7 m -16.64 145.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 113.034 0.754 . . . . 0.0 113.034 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.717 ' HG2' HD11 ' A' ' 7' ' ' LEU . 2.3 tptm -140.98 116.95 10.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.005 0.431 . . . . 0.0 112.153 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 4' ' ' CYS . 7.4 tt0 -68.1 133.13 48.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.876 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.8 mt -61.76 179.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -154.46 123.55 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.12 -173.06 2.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -94.99 -31.19 13.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.803 0.335 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.41 36.68 20.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.437 ' HG3' HD11 ' A' ' 25' ' ' ILE . 27.7 pt20 -130.37 165.04 23.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.42 ' C ' HD12 ' A' ' 25' ' ' ILE . 9.1 m -147.36 153.0 39.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.587 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -124.94 126.8 46.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.061 0.458 . . . . 0.0 111.327 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 53' ' ' VAL . 5.4 t -61.45 143.91 14.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.451 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.882 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.6 pp -92.73 -24.49 18.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.306 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.882 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -114.83 178.97 4.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.923 0.392 . . . . 0.0 111.137 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.77 164.36 13.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -151.05 141.55 22.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 mp -116.87 116.13 38.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.03 149.11 28.39 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.448 2.099 . . . . 0.0 112.35 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -103.78 -33.91 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -133.14 174.33 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.99 -32.22 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.8 -30.39 70.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -99.07 138.02 36.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.552 HD13 ' HA3' ' A' ' 46' ' ' GLY . 0.6 OUTLIER -108.16 157.13 18.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -90.7 107.21 19.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.826 HD11 ' CG ' ' A' ' 48' ' ' PHE . 37.9 mt -88.39 122.74 32.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.013 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -97.14 152.34 18.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.656 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 7' ' ' LEU . 4.4 m -65.73 128.48 28.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.095 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.97 -5.7 84.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.989 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.02 132.64 34.01 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 111.169 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.442 HD12 ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -102.19 140.47 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.042 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.613 HG13 HD12 ' A' ' 41' ' ' LEU . 3.4 mp -131.99 127.75 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.164 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.74 119.66 22.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 38' ' ' SER . 2.3 mp -69.2 136.19 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.57 -38.84 8.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -167.37 133.15 2.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -76.57 142.33 40.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.5 t -98.48 -50.82 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -176.69 176.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.58 66.92 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 174.87 -41.12 0.12 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.508 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.9 m95 -120.97 135.01 55.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.439 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 0.8 OUTLIER -124.77 159.55 30.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.54 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -110.06 157.47 19.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.75 179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -160.07 151.72 22.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.621 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -123.47 131.67 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.723 0.296 . . . . 0.0 110.737 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.613 HD12 HG13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -123.2 82.16 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.197 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 56.48 85.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.249 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 30.5 m120 52.61 27.73 5.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.229 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -125.15 124.49 41.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 tp -101.97 145.48 29.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.552 ' HA3' HD13 ' A' ' 18' ' ' LEU . . . -169.78 161.04 34.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.425 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 mt -134.2 148.62 50.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.339 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.826 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.5 164.5 10.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -63.44 130.34 28.08 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.607 2.205 . . . . 0.0 112.351 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.439 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 63.6 p -65.1 -19.82 66.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.23 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -62.29 -28.15 69.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.097 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.3 m-85 -77.38 -82.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.784 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.777 ' HA ' HG22 ' A' ' 6' ' ' VAL . 6.9 m -16.51 145.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.823 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.69 118.34 27.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.281 179.262 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -87.27 136.54 32.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.967 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.6 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.5 pp -121.77 91.33 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -147.48 36.53 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.15 140.09 19.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -122.45 163.92 18.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.924 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.875 0.369 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.66 118.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -149.02 153.71 38.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 55.8 m -141.61 161.69 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.675 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.47 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 7.2 ttpt -123.71 126.27 46.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.983 0.421 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.729 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -62.9 143.94 15.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.35 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.855 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.1 pp -91.92 -22.71 19.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.302 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.855 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -119.47 178.98 4.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.875 0.369 . . . . 0.0 111.094 -179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.76 142.22 27.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.769 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -124.4 143.96 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.002 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.2 mt -124.63 123.11 25.73 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.995 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.37 157.01 25.68 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.427 2.085 . . . . 0.0 112.47 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -136.68 -47.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -83.96 171.51 12.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -66.43 -31.34 72.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -96.65 41.85 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -130.48 123.49 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.968 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.711 HD12 ' N ' ' A' ' 46' ' ' GLY . 0.5 OUTLIER -97.99 152.28 19.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.784 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.631 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.8 tt0 -86.0 107.28 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.756 HD13 ' CE2' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -101.92 93.81 5.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -79.34 153.24 29.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -62.8 128.78 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.019 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.27 -5.81 63.2 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.829 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.62 134.3 34.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.2 mt -99.82 139.96 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.681 HG12 HD11 ' A' ' 20' ' ' LEU . 3.5 mp -133.23 126.63 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -83.71 121.83 27.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.547 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -86.6 136.17 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.019 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.8 -46.01 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -167.35 164.57 15.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -80.0 152.44 29.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.78 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.864 HG21 HD21 ' A' ' 47' ' ' LEU . 17.5 t -119.23 -65.62 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.305 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.659 ' OE2' HG12 ' A' ' 32' ' ' VAL . 3.1 mp0 -120.68 161.56 21.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.008 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.79 112.62 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.0 19.93 60.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.424 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -147.13 120.83 9.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.792 0.33 . . . . 0.0 110.638 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -111.91 160.78 17.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.043 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.07 157.44 19.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.455 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -159.74 172.71 36.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.545 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.1 m -135.15 154.62 51.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.9 mp -124.45 -74.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -141.0 -58.86 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -139.83 19.71 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -127.77 133.94 49.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.765 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.422 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.6 tp -132.87 137.19 46.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.711 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -175.65 177.08 47.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.864 HD21 HG21 ' A' ' 32' ' ' VAL . 6.7 mt -112.62 148.75 33.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.756 ' CE2' HD13 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -156.27 164.21 22.23 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.802 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.58 121.06 9.25 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.595 2.197 . . . . 0.0 112.37 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -19.67 65.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.216 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.11 -26.32 68.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.172 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' O ' ' O ' ' A' ' 53' ' ' VAL . 7.3 m-85 -71.76 -86.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.746 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.729 ' HA ' HG22 ' A' ' 6' ' ' VAL . 19.1 m -16.66 145.32 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.804 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.87 126.33 46.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.36 179.278 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.12 136.6 50.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.043 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.94 -174.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -75.38 -36.41 60.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 mp 58.3 -178.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -140.48 147.62 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.919 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 ttp . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.94 128.38 36.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -148.72 144.45 27.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.428 ' HA ' HD23 ' A' ' 56' ' ' LEU . 17.0 m -147.76 143.03 27.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.637 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 1.4 tmmm? -121.38 126.47 49.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.165 0.507 . . . . 0.0 111.326 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.785 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.3 t -63.51 143.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.349 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.941 HD23 ' HG3' ' A' ' 54' ' ' LYS . 3.7 pp -95.57 -21.92 17.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.104 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.706 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -116.77 178.98 4.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.829 0.347 . . . . 0.0 110.829 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -107.46 154.03 21.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -137.56 144.25 41.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mp -116.43 107.04 47.71 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.265 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -78.66 -167.14 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.574 2.182 . . . . 0.0 112.274 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -158.18 -42.09 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -94.39 166.67 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.351 . . . . 0.0 111.068 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.55 -19.08 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.33 29.46 2.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.785 0.326 . . . . 0.0 111.056 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -143.93 121.51 11.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.746 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.524 HD23 ' HE2' ' A' ' 48' ' ' PHE . 34.6 tp -97.89 151.52 20.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.62 107.35 18.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.686 HD21 ' CE2' ' A' ' 48' ' ' PHE . 41.3 mt -80.04 110.65 15.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -91.22 142.63 27.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.4 HG12 ' CA ' ' A' ' 8' ' ' PHE . 4.8 m -63.75 128.78 26.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.01 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.41 -5.69 83.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.851 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.76 128.31 36.11 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.829 0.347 . . . . 0.0 111.021 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.752 HD12 HD21 ' A' ' 56' ' ' LEU . 3.3 tt -97.72 124.19 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.518 HG22 ' HA3' ' A' ' 39' ' ' GLY . 3.7 mp -110.38 123.12 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -74.19 119.56 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.478 HG22 ' O ' ' A' ' 38' ' ' SER . 14.8 pt -86.6 122.41 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -93.94 -44.84 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -157.6 163.3 38.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 125.91 37.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.562 HG13 ' HB2' ' A' ' 38' ' ' SER . 13.9 m -72.97 -37.27 53.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' HG2' HG23 ' A' ' 32' ' ' VAL . 9.3 pt-20 -178.12 -178.94 0.69 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.54 102.29 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.77 -54.39 0.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.46 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -99.39 139.74 34.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.703 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.5 m0 -118.22 161.39 19.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.562 ' HB2' HG13 ' A' ' 32' ' ' VAL . 29.6 t -117.91 155.6 29.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.518 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -157.08 175.1 34.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.538 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.58 167.32 21.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.793 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.63 -53.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -166.16 82.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.814 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.6 t30 60.61 21.52 11.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.68 118.34 23.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.73 146.17 33.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.723 ' O ' HD13 ' A' ' 47' ' ' LEU . . . -166.34 169.12 40.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -127.14 153.52 45.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.686 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.35 164.21 11.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.06 122.8 12.33 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.608 2.205 . . . . 0.0 112.259 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 t -64.37 -20.37 66.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.175 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -62.42 -26.82 68.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.067 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.5 m-85 -72.95 -84.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.788 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.785 ' HA ' HG22 ' A' ' 6' ' ' VAL . 16.6 m -16.56 145.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.941 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -125.59 116.67 22.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.412 179.184 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.8 136.52 45.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.752 HD21 HD12 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -118.31 120.36 37.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -101.83 86.06 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.6 mp -148.99 164.55 34.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.6 113.84 26.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.926 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 mtm . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.809 0.338 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 60.17 89.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -147.14 147.29 30.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.3 m -148.04 149.74 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.594 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.527 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -117.08 126.48 52.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.058 0.456 . . . . 0.0 111.226 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.732 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.0 t -61.84 143.75 14.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.312 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.843 HD23 ' HG3' ' A' ' 54' ' ' LYS . 3.8 pp -96.63 -21.46 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.157 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.506 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.4 OUTLIER -118.74 178.96 4.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.849 0.356 . . . . 0.0 111.01 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -108.36 150.16 27.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.744 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.497 ' CD1' ' CE2' ' A' ' 52' ' ' PHE . 44.4 t80 -132.99 144.17 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.018 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.5 mm -116.98 106.96 46.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.85 155.48 48.6 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.457 2.105 . . . . 0.0 112.425 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -107.55 -31.2 8.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.793 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -118.57 167.59 11.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.813 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -30.41 70.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -63.49 -23.86 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -99.02 134.62 41.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.992 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD13 ' H ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -97.96 154.78 17.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.49 ' H ' HD13 ' A' ' 18' ' ' LEU . 2.3 tt0 -92.64 107.58 19.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.647 HD21 ' CG ' ' A' ' 48' ' ' PHE . 3.4 mm? -68.7 106.77 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -82.97 124.69 30.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.73 128.86 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.37 -5.76 83.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.26 133.93 38.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.847 0.356 . . . . 0.0 111.136 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.62 HD12 HD21 ' A' ' 56' ' ' LEU . 1.9 tt -96.95 124.18 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.99 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.554 HG12 HD11 ' A' ' 41' ' ' LEU . 2.1 mt -111.02 137.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.274 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -94.59 119.85 33.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.791 HG23 ' O ' ' A' ' 38' ' ' SER . 2.4 mt -78.01 136.21 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -97.21 -46.11 6.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -167.45 148.06 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.17 151.57 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.717 HG21 HD23 ' A' ' 47' ' ' LEU . 21.5 t -117.04 -57.89 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.213 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.486 ' OE2' HG12 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -143.76 165.76 26.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.51 114.56 3.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.663 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.68 -20.85 47.83 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.45 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -106.55 109.46 21.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 110.802 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 11.6 m0 -112.03 161.8 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.03 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.791 ' O ' HG23 ' A' ' 28' ' ' ILE . 1.5 t -109.81 157.5 19.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.996 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -152.52 164.64 30.71 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.491 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.0 m -118.92 136.02 54.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HG12 ' A' ' 26' ' ' ILE . 22.3 mt -145.93 94.75 2.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.5 m120 67.77 60.85 0.44 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.21 25.73 11.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.357 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 mmtp -127.73 130.77 49.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mp -104.5 124.29 49.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.481 ' HA3' HD23 ' A' ' 18' ' ' LEU . . . -137.63 143.05 14.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.34 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.717 HD23 HG21 ' A' ' 32' ' ' VAL . 1.1 mp -102.17 148.57 25.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.362 . . . . 0.0 110.995 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.647 ' CG ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.52 167.53 8.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.874 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -57.87 121.2 9.61 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.627 2.218 . . . . 0.0 112.519 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.443 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 89.4 p -65.14 -19.61 66.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.342 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -61.98 -18.57 60.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.398 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' O ' ' A' ' 53' ' ' VAL . 28.5 m-85 -79.82 -87.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.65 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.732 ' HA ' HG22 ' A' ' 6' ' ' VAL . 29.7 m -16.73 145.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.843 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -124.89 132.03 53.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.979 0.418 . . . . 0.0 111.473 179.244 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -73.43 136.58 44.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.62 HD21 HD12 ' A' ' 25' ' ' ILE . 4.2 mm? -68.4 -55.65 11.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.045 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.52 -174.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 36.3 mt 61.84 122.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.82 -66.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.7 p80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.853 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.834 0.35 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -177.31 87.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.812 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -139.25 146.63 40.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.7 m -144.81 149.29 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.716 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 54' ' ' LYS . 5.3 ttmt -117.16 126.26 52.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.295 0.569 . . . . 0.0 111.536 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.875 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.8 t -69.14 144.05 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.22 179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.767 HD21 ' HD2' ' A' ' 54' ' ' LYS . 2.5 mt -91.72 -27.63 17.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.433 ' H ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -116.23 178.85 4.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.785 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.67 149.21 28.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -127.57 143.72 51.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 11' ' ' ILE . 19.7 tt -117.05 120.62 33.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.7 144.38 35.23 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.407 2.072 . . . . 0.0 112.383 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.08 -37.33 4.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.87 166.55 11.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.5 -28.76 69.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -94.66 43.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -138.6 133.46 32.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.872 HD11 ' HG2' ' A' ' 44' ' ' LYS . 5.6 tp -97.95 162.15 13.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -105.29 107.35 18.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.508 HD11 ' CG ' ' A' ' 48' ' ' PHE . 22.7 mt -89.43 108.34 19.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 139.43 31.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 7' ' ' LEU . 8.7 p -59.32 128.87 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.25 -5.7 84.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.842 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -84.43 143.53 29.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.86 0.362 . . . . 0.0 111.049 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.484 HD13 ' HG3' ' A' ' 5' ' ' LYS . 18.7 mm -95.98 128.16 47.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 26' ' ' ILE . 3.6 mp -128.74 128.27 67.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.322 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -96.87 123.78 40.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 38' ' ' SER . 3.8 mp -77.04 125.8 37.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -94.69 -31.32 13.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -166.95 133.09 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -86.09 129.25 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.759 HG21 HD23 ' A' ' 47' ' ' LEU . 21.5 t -74.42 -64.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -167.02 178.47 5.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 85.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.08 -49.7 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.577 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -108.04 129.63 55.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.424 ' CE3' HG12 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -123.6 161.66 24.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.663 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -109.92 157.44 19.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.79 165.89 33.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.7 m -147.62 139.66 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.809 0.337 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 mt -108.85 -32.67 7.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -174.13 -70.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -129.31 17.3 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.872 ' HG2' HD11 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -123.11 121.78 36.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.852 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.36 136.8 54.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.3 -174.91 29.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.406 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.759 HD23 HG21 ' A' ' 32' ' ' VAL . 5.7 mp -127.41 148.77 50.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.508 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -163.66 166.96 11.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 34.4 Cg_exo -57.93 121.07 9.38 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.498 2.132 . . . . 0.0 112.309 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.408 ' HB2' ' CG ' ' A' ' 37' ' ' TRP . 21.3 t -63.03 -19.8 64.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.192 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.28 -26.42 68.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.269 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' O ' ' O ' ' A' ' 53' ' ' VAL . 3.8 m-85 -66.89 -90.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.78 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.875 ' HA ' HG22 ' A' ' 6' ' ' VAL . 11.3 m -16.75 145.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.767 ' HD2' HD21 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -137.26 116.35 12.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.01 0.433 . . . . 0.0 111.978 179.353 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.93 136.52 57.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.009 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.3 -172.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -119.48 -80.64 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.97 163.68 30.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.919 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -139.71 97.74 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.7 m80 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.925 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.773 0.321 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.406 ' CD ' HD11 ' A' ' 28' ' ' ILE . 3.6 mmt180 60.64 111.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -136.96 153.62 50.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.7 m -146.6 140.58 26.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.557 ' HB2' HD13 ' A' ' 25' ' ' ILE . 7.2 ttpt -123.96 125.51 44.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.187 0.518 . . . . 0.0 111.283 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.747 HG22 ' HA ' ' A' ' 53' ' ' VAL . 9.6 t -62.3 144.09 14.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.329 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.664 HD11 ' HG3' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -91.62 -24.83 19.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.64 ' C ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -114.54 179.0 4.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.372 . . . . 0.0 111.044 -179.667 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.43 148.73 21.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -138.75 144.07 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -125.39 131.29 24.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.028 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -80.75 145.07 15.86 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.543 2.162 . . . . 0.0 112.393 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -128.15 -42.41 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -83.92 171.29 13.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.967 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.32 -37.16 84.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.22 58.68 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -140.5 124.32 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.54 153.55 19.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.835 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.47 107.2 17.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.654 HD13 ' CE2' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -106.23 87.97 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.29 168.41 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.64 HG22 ' C ' ' A' ' 8' ' ' PHE . 30.5 t -66.51 128.76 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.34 -5.79 71.27 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.938 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.63 130.14 37.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.809 0.338 . . . . 0.0 111.065 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 5' ' ' LYS . 25.8 mm -95.91 128.15 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.646 HG12 HD11 ' A' ' 20' ' ' LEU . 3.4 mp -130.37 139.06 52.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.19 119.63 33.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.406 HD11 ' CD ' ' A' ' 2' ' ' ARG . 13.7 pt -83.64 135.96 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -108.91 -46.04 3.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -167.41 151.24 6.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -76.47 134.88 39.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.609 HG21 HD21 ' A' ' 47' ' ' LEU . 24.0 t -87.58 -67.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.112 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -134.75 170.85 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.957 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.6 90.36 0.26 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.36 -22.81 5.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.651 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.69 ' HB3' HD11 ' A' ' 47' ' ' LEU . 56.5 m95 -116.39 132.09 56.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 3.1 m0 -120.46 161.56 21.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.6 m -113.27 154.41 26.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.27 171.53 39.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.9 m -133.63 117.04 16.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.92 -62.56 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -133.01 -62.37 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.779 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -146.37 21.98 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.76 137.92 52.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.821 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.5 tt -110.45 111.54 22.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.63 -159.27 10.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 48' ' ' PHE . 0.4 OUTLIER -144.85 148.47 34.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.767 ' N ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -166.5 160.61 12.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.96 124.69 16.55 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.597 2.198 . . . . 0.0 112.311 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.418 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 46.8 t -63.64 -19.74 65.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.212 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.2 -25.68 67.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.061 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.583 ' O ' ' O ' ' A' ' 53' ' ' VAL . 6.7 m-85 -74.85 -89.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.704 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 6' ' ' VAL . 14.6 m -16.75 145.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.664 ' HG3' HD11 ' A' ' 7' ' ' LEU . 1.6 tmtm? -121.59 123.22 41.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 0.0 111.422 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -75.06 136.15 41.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -173.7 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.26 117.76 13.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.24 100.8 3.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 60.61 110.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.927 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ptp . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.849 0.357 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -176.85 82.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.637 ' HB3' HD11 ' A' ' 25' ' ' ILE . 17.8 mt-30 -129.41 149.82 51.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 84.9 m -148.12 140.69 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.799 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 4.2 ttpt -119.93 126.5 51.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.096 0.474 . . . . 0.0 111.097 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.787 HG22 ' HA ' ' A' ' 53' ' ' VAL . 5.4 t -61.77 143.93 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.452 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -95.17 -21.61 18.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.335 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.864 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -115.11 178.99 4.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.003 0.43 . . . . 0.0 111.232 -179.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.97 141.17 36.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.786 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.411 ' O ' HD13 ' A' ' 11' ' ' ILE . 78.7 t80 -124.57 144.16 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.411 HD13 ' O ' ' A' ' 10' ' ' TYR . 30.0 mm -121.36 106.84 37.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.03 -167.42 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.471 2.114 . . . . 0.0 112.255 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -160.18 -45.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -92.25 167.14 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.94 -25.09 67.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -93.57 43.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.029 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -143.93 131.88 21.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.688 HD23 ' N ' ' A' ' 19' ' ' GLU . 3.2 tt -97.91 163.7 12.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.688 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -102.58 107.28 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.93 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.819 HD21 ' CE2' ' A' ' 48' ' ' PHE . 82.0 mt -93.19 87.66 5.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.01 146.0 25.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.1 m -56.56 128.83 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.81 -5.66 64.13 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.748 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.72 135.7 33.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.859 0.362 . . . . 0.0 111.18 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.637 HD11 ' HB3' ' A' ' 3' ' ' GLN . 17.9 tt -116.13 124.18 72.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.468 HD12 ' CD2' ' A' ' 20' ' ' LEU . 34.0 mt -116.04 138.91 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.198 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -77.89 119.67 21.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.796 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.476 HG21 ' CZ3' ' A' ' 37' ' ' TRP . 43.6 pt -84.62 136.24 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -104.49 -43.21 5.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -167.41 163.17 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -112.17 133.41 54.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 33' ' ' GLU . 12.4 p -73.6 -43.08 55.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -174.8 -177.32 1.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -76.85 74.22 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.97 -43.98 0.11 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.399 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -124.34 148.38 47.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.798 0.333 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.476 ' CZ3' HG21 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -126.66 157.44 38.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.857 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -123.34 143.76 49.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -150.05 -174.31 21.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.563 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.9 m -157.74 109.51 2.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.02 -66.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -128.96 -69.57 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.37 26.65 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -127.7 142.68 51.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.814 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 tt -125.02 124.84 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.35 -172.2 12.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mp -137.97 148.73 45.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.819 ' CE2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.44 163.41 11.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -57.95 126.5 21.86 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.6 2.2 . . . . 0.0 112.288 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.433 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 2.7 p -64.38 -20.02 65.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.143 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -62.45 -29.07 70.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.114 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' ' O ' ' A' ' 53' ' ' VAL . 10.0 m-85 -70.46 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.787 ' HA ' HG22 ' A' ' 6' ' ' VAL . 26.8 m -16.57 145.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.624 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -129.0 124.9 36.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.893 0.377 . . . . 0.0 111.374 179.067 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.411 ' C ' HD23 ' A' ' 56' ' ' LEU . 0.2 OUTLIER -87.28 136.57 32.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.971 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -156.49 35.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -66.06 77.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.3 mt -150.5 175.23 12.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -157.19 -65.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.73 106.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -141.44 148.13 39.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 96.9 m -148.17 144.24 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -120.12 126.56 51.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.055 0.455 . . . . 0.0 111.192 179.835 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.851 HG21 ' HB3' ' A' ' 20' ' ' LEU . 4.5 t -61.61 143.96 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.306 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.773 HD23 ' HG3' ' A' ' 54' ' ' LYS . 2.6 pp -92.52 -22.13 19.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.277 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.735 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -114.71 178.86 4.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.884 0.373 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.45 155.62 17.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' CD2' ' CD1' ' A' ' 20' ' ' LEU . 60.1 t80 -146.39 144.18 29.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.74 HG22 ' HG2' ' A' ' 13' ' ' GLN . 16.3 mm -112.73 106.92 55.18 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.99 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.78 -46.1 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.448 2.099 . . . . 0.0 112.451 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.74 ' HG2' HG22 ' A' ' 11' ' ' ILE . 36.0 mm-40 54.75 27.28 8.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.17 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -160.86 152.29 19.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -32.06 73.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.509 ' OD2' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -72.96 -29.22 62.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -99.02 138.99 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.663 HD23 ' N ' ' A' ' 19' ' ' GLU . 1.8 tt -97.92 163.58 12.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.663 ' N ' HD23 ' A' ' 18' ' ' LEU . 0.7 OUTLIER -92.65 107.19 19.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.804 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.851 ' HB3' HG21 ' A' ' 6' ' ' VAL . 2.9 mp -93.52 95.22 9.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -98.75 153.26 18.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 7' ' ' LEU . 21.8 t -57.93 128.81 19.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.92 83.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.836 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -86.15 128.22 34.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 110.998 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.7 tt -108.13 124.13 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 mp -110.29 137.85 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.8 119.54 24.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -86.6 117.19 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.036 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -91.9 -45.92 8.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -156.68 164.62 37.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HG2' ' CE2' ' A' ' 37' ' ' TRP . 2.2 mp0 -108.0 121.07 44.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.809 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.1 -41.58 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.28 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 177.68 -178.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -70.76 116.85 11.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.08 -27.24 10.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.406 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -133.25 135.3 44.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.436 ' CE2' ' HG2' ' A' ' 31' ' ' GLU . 5.0 m0 -123.22 161.59 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.414 ' HA ' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -111.45 131.53 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -135.57 -176.6 14.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -163.72 109.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.55 -63.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -143.68 -61.49 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.8 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -137.36 22.58 2.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.022 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -127.75 130.41 48.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -106.11 117.63 34.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.45 141.05 9.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.53 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.509 HD12 ' OD2' ' A' ' 16' ' ' ASP . 2.6 mt -102.25 152.09 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.814 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.607 ' CD2' HD11 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -164.03 167.67 10.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -60.41 120.97 9.02 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.685 2.257 . . . . 0.0 112.338 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 72.7 p -65.34 -20.35 66.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.225 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -62.38 -30.17 71.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.1 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.572 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.9 m-85 -67.54 -82.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.821 ' HA ' HG22 ' A' ' 6' ' ' VAL . 9.8 m -16.5 145.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.773 ' HG3' HD23 ' A' ' 7' ' ' LEU . 5.5 tttt -120.8 143.83 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.464 179.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -84.52 136.6 33.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.968 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 56' ' ' LEU . 5.9 mt -104.57 29.23 6.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -110.92 93.59 4.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -164.21 131.41 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 93.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 59.3 t60 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.919 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.0 mtp . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.782 0.325 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -112.66 94.53 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -129.78 152.91 48.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.2 m -147.9 154.67 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 1.2 ttpt -117.41 126.32 52.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.081 0.467 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 20' ' ' LEU . 4.8 t -61.72 143.69 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.426 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.988 HD23 ' HG3' ' A' ' 54' ' ' LYS . 4.3 pp -95.81 -24.94 16.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.252 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.687 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -114.77 178.95 4.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.951 0.405 . . . . 0.0 111.125 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -110.1 144.28 38.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.455 ' HB3' HD12 ' A' ' 20' ' ' LEU . 89.0 t80 -127.53 144.03 51.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.818 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.604 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.3 mp -110.69 106.95 58.05 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.94 145.01 42.76 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.427 2.085 . . . . 0.0 112.189 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -119.06 -40.34 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -115.33 170.05 8.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -64.51 -23.48 67.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.14 38.1 1.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -141.68 128.67 20.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.501 HD23 ' H ' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -97.88 156.42 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.501 ' H ' HD23 ' A' ' 18' ' ' LEU . 1.3 tm-20 -90.66 107.38 19.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.747 ' HB3' HG21 ' A' ' 6' ' ' VAL . 0.9 OUTLIER -84.85 84.15 7.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -79.26 142.46 36.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.535 HG22 ' C ' ' A' ' 8' ' ' PHE . 24.7 t -65.17 130.45 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.56 -5.75 58.74 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.913 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.61 143.45 30.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 14.4 mt -102.03 139.45 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.949 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.711 HG21 ' HZ ' ' A' ' 48' ' ' PHE . 14.2 mt -125.13 127.75 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -96.52 119.59 35.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.795 HG23 ' O ' ' A' ' 38' ' ' SER . 3.9 mp -81.2 136.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -105.62 -43.86 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -150.24 148.14 28.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -83.64 118.61 23.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.813 HG21 HD23 ' A' ' 47' ' ' LEU . 31.9 t -63.22 -69.19 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -149.71 -177.8 6.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -74.42 64.68 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.806 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.54 -43.13 0.26 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -106.3 135.0 48.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.419 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 9.4 m0 -112.03 161.37 16.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.982 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.795 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -110.07 157.42 19.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.98 163.54 33.11 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.588 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.1 m -116.65 152.76 33.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.53 56.9 1.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.2 t30 59.93 89.87 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 60.85 19.79 10.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -127.75 108.82 11.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.878 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.01 138.71 38.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.454 ' N ' HD12 ' A' ' 18' ' ' LEU . . . 175.35 159.58 21.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.558 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.813 HD23 HG21 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -108.92 158.36 17.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.711 ' HZ ' HG21 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -166.37 162.66 11.89 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 18.1 Cg_endo -59.54 126.91 21.97 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.419 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 96.4 p -65.15 -19.82 66.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.451 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -25.01 67.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.312 -179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.58 ' O ' ' O ' ' A' ' 53' ' ' VAL . 1.8 m-85 -72.11 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.715 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.72 ' HA ' HG22 ' A' ' 6' ' ' VAL . 27.1 m -16.86 145.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.988 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -125.12 128.04 47.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.96 0.409 . . . . 0.0 111.572 179.283 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.96 136.49 48.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.984 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 pp -82.31 153.4 25.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -95.18 164.05 13.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.18 113.07 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -113.81 -68.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.741 0.305 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.84 14.78 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.269 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -152.34 143.87 23.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.892 0.377 . . . . 0.0 110.959 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.8 m -148.45 162.81 38.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.631 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -127.18 125.75 41.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.078 0.466 . . . . 0.0 111.175 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.79 HG21 ' HB3' ' A' ' 20' ' ' LEU . 4.2 t -64.67 143.91 15.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.523 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.878 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.3 pp -98.57 -26.4 14.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.878 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -114.75 178.87 4.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.881 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.43 148.77 22.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.462 ' CG ' HD12 ' A' ' 20' ' ' LEU . 82.0 t80 -126.07 143.53 51.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.2 mt -125.34 106.93 27.38 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.61 167.75 23.67 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.542 2.162 . . . . 0.0 112.37 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.59 26.07 1.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -160.98 163.03 32.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.03 -20.44 65.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.26 32.14 2.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.083 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -143.94 126.49 15.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.91 152.51 19.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -85.94 107.26 17.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.79 ' HB3' HG21 ' A' ' 6' ' ' VAL . 2.5 mt -81.87 101.28 10.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.9 147.3 26.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 t -62.74 128.84 25.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.1 -5.87 81.54 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.929 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.44 144.5 26.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 110.984 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.4 mt -113.87 143.61 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.987 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.4 mp -133.17 139.1 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.82 121.41 38.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.516 HG23 ' O ' ' A' ' 38' ' ' SER . 3.6 mp -74.45 130.33 36.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -92.83 -45.97 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -162.82 129.67 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.31 148.78 29.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.1 t -101.69 -58.64 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -166.17 178.95 5.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.946 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.81 74.9 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.51 -66.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -103.86 136.8 42.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.3 m0 -123.26 161.62 24.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 28' ' ' ILE . 2.4 m -110.01 155.3 22.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -158.71 157.67 28.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.573 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.71 141.61 34.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.72 -51.86 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -154.53 -73.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.31 -18.55 11.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.246 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.57 146.61 24.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.868 0.366 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.19 123.11 25.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.8 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.01 167.46 27.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.543 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mp -121.7 158.82 27.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.776 ' CZ ' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.34 167.15 8.67 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -57.94 122.11 11.16 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.54 2.16 . . . . 0.0 112.343 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.6 t -64.72 -19.69 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.236 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -62.19 -28.04 69.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.146 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.577 ' O ' ' O ' ' A' ' 53' ' ' VAL . 4.4 m-85 -71.96 -87.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.74 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.752 ' HA ' HG22 ' A' ' 6' ' ' VAL . 15.3 m -16.65 145.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.603 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -120.83 123.09 41.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.393 . . . . 0.0 111.536 179.351 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -62.01 134.42 56.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 56' ' ' LEU . 3.5 pp -103.19 117.66 35.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -111.33 -32.55 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.46 133.24 55.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.77 41.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.6 m80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.903 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.798 0.332 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.9 ttm105 -169.36 116.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -134.89 153.88 51.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -148.09 147.77 29.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.804 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' HB3' HG12 ' A' ' 25' ' ' ILE . 0.9 OUTLIER -117.54 126.76 53.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.993 0.425 . . . . 0.0 111.031 179.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.773 HG22 ' HA ' ' A' ' 53' ' ' VAL . 22.3 t -61.09 143.87 14.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.326 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.859 HD12 ' N ' ' A' ' 8' ' ' PHE . 1.3 pp -93.78 -24.07 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.677 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.859 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -114.42 178.9 4.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.888 0.375 . . . . 0.0 111.098 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -100.67 157.36 16.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.05 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.417 ' CD2' HD12 ' A' ' 20' ' ' LEU . 44.7 t80 -148.74 144.14 26.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.6 mm -119.47 107.03 41.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.01 -167.8 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.441 2.094 . . . . 0.0 112.389 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -168.36 -43.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -84.93 160.99 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -61.05 -29.13 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.15 44.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -143.87 126.15 15.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 4.0 tp -101.6 163.74 12.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -90.5 107.34 19.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.983 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.851 HD11 ' HB2' ' A' ' 48' ' ' PHE . 5.1 mt -83.91 79.57 9.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 142.39 36.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG22 ' C ' ' A' ' 8' ' ' PHE . 26.2 t -64.59 128.73 27.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.43 -5.89 80.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.911 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.12 130.36 35.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.834 0.317 . . . . 0.0 110.774 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.466 HG12 ' HB3' ' A' ' 5' ' ' LYS . 7.3 mt -95.95 130.27 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.41 HG22 ' HA3' ' A' ' 39' ' ' GLY . 3.0 mp -127.45 119.8 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.743 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -74.13 119.3 18.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.183 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.0 pt -86.95 125.12 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.72 179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -104.86 -46.05 4.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.446 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -124.67 148.13 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.932 0.396 . . . . 0.0 111.201 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.61 107.03 15.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.639 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.56 -50.83 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.083 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.62 -172.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -82.94 58.07 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.88 -47.44 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.351 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -126.55 123.38 37.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.349 . . . . 0.0 110.755 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.444 ' CG ' ' HB3' ' A' ' 50' ' ' SER . 27.6 m0 -113.06 158.44 20.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.958 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.87 144.51 42.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.814 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.41 ' HA3' HG22 ' A' ' 26' ' ' ILE . . . -154.12 179.07 30.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.609 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -134.85 140.4 45.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.82 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.9 -78.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -116.5 -17.51 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.493 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -178.38 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.748 0.309 . . . . 0.0 111.21 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -86.48 138.26 31.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.97 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 mp -103.41 147.02 27.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.035 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.56 176.1 27.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.349 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.18 148.66 51.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.851 ' HB2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.64 167.9 7.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.814 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.441 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . 39.8 Cg_exo -57.69 121.01 9.29 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.474 2.116 . . . . 0.0 112.238 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.444 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . 21.0 p -65.13 -19.88 66.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.328 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -62.29 -21.4 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.343 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' O ' ' O ' ' A' ' 53' ' ' VAL . 5.9 m-85 -77.33 -78.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.773 ' HA ' HG22 ' A' ' 6' ' ' VAL . 5.8 m -16.32 144.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.804 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -134.43 117.87 16.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.334 179.177 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -66.03 136.62 56.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.4 mt -70.77 179.99 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -145.33 124.82 13.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.59 30.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -141.1 141.04 34.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.878 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.794 0.331 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.41 136.0 34.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -140.38 144.21 36.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.51 ' SG ' HD11 ' A' ' 28' ' ' ILE . 0.8 OUTLIER -148.03 148.51 30.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.007 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 2.8 ttpt -117.16 125.55 51.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.516 179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.79 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.3 t -66.68 143.8 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.514 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.792 HD12 ' N ' ' A' ' 8' ' ' PHE . 3.6 pp -96.47 -25.1 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.95 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.792 ' N ' HD12 ' A' ' 7' ' ' LEU . 1.3 m-85 -114.75 178.93 4.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.793 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -104.91 155.34 19.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.12 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -134.38 143.39 47.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.539 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.6 mp -119.33 106.95 41.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.249 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -78.05 164.16 27.49 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.528 2.152 . . . . 0.0 112.38 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.91 33.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -151.17 173.36 14.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.74 -31.26 71.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.761 ' OD2' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -114.14 56.76 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -143.3 121.52 12.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.521 HD13 ' HA3' ' A' ' 46' ' ' GLY . 2.0 tp -99.56 163.66 12.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -105.92 107.28 18.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.821 HD11 ' CG ' ' A' ' 48' ' ' PHE . 5.3 mt -91.34 118.69 30.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.79 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -97.76 138.67 34.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.755 HG22 ' C ' ' A' ' 8' ' ' PHE . 19.4 t -63.69 128.85 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.97 -5.76 76.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.903 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -98.27 154.12 18.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.404 HG12 ' HB2' ' A' ' 5' ' ' LYS . 6.8 mt -106.84 142.87 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.071 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 mp -130.28 132.29 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.27 124.98 33.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.575 HD12 ' H ' ' A' ' 28' ' ' ILE . 3.7 mp -73.47 129.3 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -96.43 -39.76 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.37 131.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.404 ' OE2' ' CZ2' ' A' ' 37' ' ' TRP . 5.3 tt0 -75.9 117.01 17.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.24 -66.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -162.52 -177.37 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -68.73 76.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 155.82 -43.22 0.55 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -109.93 132.75 53.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.409 ' CD1' ' OG ' ' A' ' 50' ' ' SER . 4.6 m0 -120.29 161.59 20.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.7 t -110.41 157.46 19.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -157.47 141.91 8.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.6 m -111.62 137.01 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.962 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -154.1 119.52 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 62.4 41.55 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 61.96 32.51 17.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.61 127.45 43.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -106.12 146.19 30.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.521 ' HA3' HD13 ' A' ' 18' ' ' LEU . . . -161.47 -173.18 29.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.761 HD13 ' OD2' ' A' ' 16' ' ' ASP . 4.5 mp -135.4 148.79 49.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.821 ' CG ' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -165.32 157.71 13.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.73 137.15 78.43 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.641 2.227 . . . . 0.0 112.424 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.409 ' OG ' ' CD1' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -65.29 -19.46 65.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.312 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -62.12 -17.78 58.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.397 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' O ' ' O ' ' A' ' 53' ' ' VAL . 14.3 m-85 -82.53 -93.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 121.285 -0.166 . . . . 0.0 110.642 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.79 ' HA ' HG22 ' A' ' 6' ' ' VAL . 6.9 m -16.81 144.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.747 ' HG3' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -133.44 116.52 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.959 0.409 . . . . 0.0 111.469 179.176 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.66 136.52 49.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.976 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.0 mt -94.5 164.25 13.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -108.35 159.31 16.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.59 29.92 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -177.52 -174.02 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.259 -0.876 . . . . 0.0 110.924 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.841 0.353 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 59.88 84.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -135.94 144.42 45.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.0 m -146.96 142.86 27.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.635 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HB2' HD13 ' A' ' 25' ' ' ILE . 13.7 ttpp -117.14 126.25 52.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.138 0.494 . . . . 0.0 111.304 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.703 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.4 t -62.66 143.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.294 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.728 HD12 ' N ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -95.65 -23.32 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.368 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.728 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -119.21 178.94 4.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.889 0.376 . . . . 0.0 111.173 -179.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.576 ' HG3' HG12 ' A' ' 22' ' ' VAL . 3.6 mt-10 -107.36 142.54 37.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.404 ' CB ' HD12 ' A' ' 20' ' ' LEU . 71.3 t80 -130.26 144.08 51.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.59 ' O ' HG23 ' A' ' 11' ' ' ILE . 2.1 tt -117.7 111.95 39.14 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.99 172.68 14.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.361 2.04 . . . . 0.0 112.249 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -152.88 26.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -161.0 162.73 31.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -62.85 -28.71 70.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -97.92 31.12 2.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -130.83 125.51 33.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.773 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 46' ' ' GLY . 0.4 OUTLIER -97.82 161.69 13.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -102.33 107.24 18.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.844 HD11 ' HB2' ' A' ' 48' ' ' PHE . 1.9 mt -79.68 86.03 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.624 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.24 127.3 31.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.993 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.576 HG12 ' HG3' ' A' ' 9' ' ' GLU . 10.7 p -59.32 132.7 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.985 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.27 -5.82 82.7 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.754 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -93.53 141.63 28.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.826 0.346 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.444 HD13 ' HB2' ' A' ' 5' ' ' LYS . 25.6 mm -95.95 124.24 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.478 HG23 HD12 ' A' ' 41' ' ' LEU . 4.1 mp -116.33 138.0 48.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.008 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -92.2 119.66 32.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.607 HG21 ' CZ3' ' A' ' 37' ' ' TRP . 19.5 pt -86.57 129.02 39.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.995 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -110.92 -46.0 3.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -140.05 145.83 38.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -100.49 113.74 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.739 HG21 HD21 ' A' ' 47' ' ' LEU . 24.9 t -60.14 -67.42 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -172.17 -178.08 2.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.61 75.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.27 -28.57 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.535 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.0 m95 -135.33 139.9 44.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.607 ' CZ3' HG21 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -124.91 156.0 38.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.04 135.36 54.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -155.99 -172.32 23.32 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.441 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -149.94 135.35 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 41' ' ' LEU . 6.8 mp -100.56 -74.94 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -132.2 81.7 1.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.7 t30 60.61 24.07 13.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.026 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -127.67 115.6 18.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.28 143.96 32.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.438 ' N ' HD12 ' A' ' 18' ' ' LEU . . . -168.72 -160.71 17.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.739 HD21 HG21 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -137.32 154.45 50.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.843 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.844 ' HB2' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.44 166.29 9.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -59.7 121.05 9.22 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.606 2.204 . . . . 0.0 112.218 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.2 p -61.7 -20.77 63.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -62.47 -30.26 71.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.09 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' O ' ' O ' ' A' ' 53' ' ' VAL . 2.8 m-85 -65.42 -90.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.72 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.703 ' HA ' HG22 ' A' ' 6' ' ' VAL . 31.3 m -16.9 145.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.655 ' HD2' HD23 ' A' ' 7' ' ' LEU . 1.1 ttpt -130.08 116.68 18.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.398 . . . . 0.0 111.635 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 136.3 37.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -78.95 -80.36 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.001 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 55.05 32.03 17.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.83 -167.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 77.77 69.8 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.857 0.361 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 -128.79 137.45 51.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -146.98 144.28 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.2 m -145.95 141.56 27.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.654 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -117.04 126.25 52.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.308 0.575 . . . . 0.0 111.481 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.848 HG22 ' HA ' ' A' ' 53' ' ' VAL . 6.0 t -66.28 144.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.184 -0.917 . . . . 0.0 111.143 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.772 HD11 ' HG3' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -91.25 -30.61 16.53 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.979 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -114.69 178.96 4.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.161 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.05 157.47 17.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.465 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 56.5 t80 -134.04 144.09 48.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.7 mm -104.4 106.86 55.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.18 166.63 27.41 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.443 2.096 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.2 36.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -140.59 165.36 27.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -30.56 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.982 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.91 64.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -140.57 123.89 16.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.0 tp -97.94 154.97 17.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.05 107.27 19.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.785 ' HB3' HG21 ' A' ' 6' ' ' VAL . 24.5 mt -87.74 87.72 7.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 158.36 27.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 7' ' ' LEU . 9.8 p -68.86 128.78 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.25 -5.73 83.98 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.877 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -79.98 133.27 36.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.0 111.099 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.607 ' O ' HD12 ' A' ' 41' ' ' LEU . 20.4 mm -96.13 124.14 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.544 HD13 ' O ' ' A' ' 25' ' ' ILE . 25.4 mm -129.39 130.37 67.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.279 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.75 126.52 41.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.744 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.438 HG23 ' O ' ' A' ' 38' ' ' SER . 3.3 mt -68.78 136.05 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -109.42 -30.33 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -161.08 129.65 4.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -93.33 118.39 31.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.585 HG12 ' HG2' ' A' ' 33' ' ' GLU . 39.0 t -66.2 -72.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.585 ' HG2' HG12 ' A' ' 32' ' ' VAL . 4.1 mm-40 -137.9 -69.24 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -169.47 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.757 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.15 -27.46 52.54 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.368 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.411 ' CZ3' ' HG3' ' A' ' 49' ' ' PRO . 72.6 m95 -119.06 115.92 25.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.664 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.432 ' CD1' ' HB2' ' A' ' 50' ' ' SER . 16.6 m0 -113.38 161.8 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.9 m -109.85 157.5 19.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.774 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -151.16 166.04 30.44 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.533 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 75.4 m -163.5 101.59 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 25' ' ' ILE . 7.2 tt -73.53 -68.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -140.63 -62.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -131.93 31.08 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -127.44 116.29 20.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mp -117.42 129.85 56.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.85 167.42 39.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.29 152.26 30.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -162.35 165.61 15.3 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HG3' ' CZ3' ' A' ' 36' ' ' TRP . 37.3 Cg_exo -57.76 126.58 22.2 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.616 2.211 . . . . 0.0 112.507 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.432 ' HB2' ' CD1' ' A' ' 37' ' ' TRP . 17.4 t -61.89 -19.77 63.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.197 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -62.05 -25.14 67.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.173 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.574 ' O ' ' O ' ' A' ' 53' ' ' VAL . 24.8 m-85 -70.57 -91.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.612 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.848 ' HA ' HG22 ' A' ' 6' ' ' VAL . 5.6 m -16.79 145.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.772 ' HG3' HD11 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -137.24 116.47 12.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 111.715 179.314 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 135.96 57.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.973 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 60' ' ' HIS . 25.4 mt -60.49 157.0 14.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -148.09 83.66 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.798 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 mp 60.91 31.24 19.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 tp10 -109.27 -32.07 7.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.549 ' HB2' HD13 ' A' ' 56' ' ' LEU . 38.5 t60 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.862 0.363 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -100.97 111.76 24.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.783 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -137.75 151.46 48.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 m -145.66 147.22 31.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.473 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -119.88 126.75 51.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.039 0.447 . . . . 0.0 111.456 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.817 HG22 ' HA ' ' A' ' 53' ' ' VAL . 3.5 t -61.6 143.75 14.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.19 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.769 HD12 ' N ' ' A' ' 8' ' ' PHE . 3.6 pp -93.47 -23.1 18.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.043 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.769 ' N ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -114.85 179.04 4.06 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.928 0.394 . . . . 0.0 111.021 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.502 ' OE2' HG12 ' A' ' 22' ' ' VAL . 5.5 mm-40 -99.26 171.0 8.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -155.01 144.18 21.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.8 mp -114.05 107.87 51.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.58 151.43 82.86 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.411 2.074 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -136.71 28.11 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.93 164.01 31.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.03 -30.16 70.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.08 31.76 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.5 127.47 47.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' HB3' ' CE2' ' A' ' 48' ' ' PHE . 12.4 tp -97.91 158.89 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.724 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -98.3 107.11 19.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.055 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.786 HD21 ' CD2' ' A' ' 48' ' ' PHE . 2.8 mm? -73.97 105.05 5.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.4 129.96 39.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.799 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 7' ' ' LEU . 9.6 p -53.44 128.64 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.067 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.97 -5.84 84.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.718 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -90.45 133.01 35.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.786 0.327 . . . . 0.0 110.933 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -95.87 140.61 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.42 139.52 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.73 119.69 33.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.846 HG23 ' O ' ' A' ' 38' ' ' SER . 1.8 mp -81.56 136.06 23.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -94.79 -46.11 7.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -167.46 163.25 14.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -80.55 108.88 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.76 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.745 HG21 HD21 ' A' ' 47' ' ' LEU . 22.4 m -63.0 -46.65 95.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.495 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' N ' HG23 ' A' ' 32' ' ' VAL . 2.4 mm-40 -150.54 -175.85 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.053 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -87.69 53.21 2.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.723 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 176.42 -36.61 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.026 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.403 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 29.4 m95 -106.62 150.45 26.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.718 0.294 . . . . 0.0 110.447 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -122.63 161.72 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 111.089 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.846 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -109.82 157.53 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.892 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -149.64 162.67 29.15 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.643 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.96 131.25 30.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.727 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.06 95.37 2.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.105 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 63.03 66.04 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.216 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t30 56.5 31.7 19.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.292 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -114.55 132.42 56.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.757 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.5 133.67 55.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.981 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -163.97 167.66 38.12 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.375 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.745 HD21 HG21 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -126.1 148.47 49.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.35 . . . . 0.0 110.932 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.786 ' CD2' HD21 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -166.6 166.01 9.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 179.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -61.89 122.65 11.29 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.646 2.23 . . . . 0.0 112.347 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.0 t -65.26 -19.86 66.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.313 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.26 -20.71 64.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.413 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' O ' ' O ' ' A' ' 53' ' ' VAL . 6.0 m-85 -78.07 -84.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.982 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.817 ' HA ' HG22 ' A' ' 6' ' ' VAL . 31.5 m -16.43 145.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.577 ' HD2' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -123.13 131.75 53.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.438 179.313 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.521 ' OE2' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -87.18 135.73 33.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.809 179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.68 179.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.868 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.43 142.28 28.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.521 HD11 ' OE2' ' A' ' 55' ' ' GLU . 5.4 mp -111.32 160.66 16.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.78 57.17 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 stop_ save_