data_2mz4_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 2mz4 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' A' ' 6' ' ' GLU . 54.1 pttt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.733 0.301 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 18.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.656 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.567 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -91.87 -16.78 26.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.54 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 8' ' ' SER . 61.3 t30 -81.35 -125.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.506 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.52 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 0.5 OUTLIER -88.85 134.8 33.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.377 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.5 -5.07 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.676 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 8' ' ' SER . 3.4 ptt180 -57.77 -36.52 72.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.519 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -88.66 -27.95 20.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.732 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.7 -36.32 80.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mt -64.5 -45.38 95.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.234 0.54 . . . . 0.0 109.827 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.72 -70.73 0.09 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.459 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 28' ' ' PHE . 44.2 t -41.72 -42.05 2.46 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.961 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.32 -83.95 0.04 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -43.17 -38.49 2.49 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.469 0.652 . . . . 0.0 110.219 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.538 ' C ' ' H ' ' A' ' 20' ' ' ASP . 23.9 t -55.31 -83.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.358 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.9 mmp_? -63.13 5.39 0.15 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.592 0.234 . . . . 0.0 111.452 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' A' ' 18' ' ' CYS . 22.8 t70 -105.38 -12.14 16.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -111.65 -21.97 11.43 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.291 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.24 -41.87 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -111.36 -124.69 0.27 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.471 ' C ' ' H ' ' A' ' 26' ' ' GLY . 10.9 t -146.31 179.91 7.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.467 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -72.93 11.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 24' ' ' THR . . . -107.97 -7.71 30.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.431 ' C ' ' N ' ' A' ' 29' ' ' TYR . 1.6 m-85 -103.94 -23.83 13.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 120.632 0.253 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.546 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -48.28 -16.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 0.0 110.517 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.431 ' N ' ' C ' ' A' ' 27' ' ' TYR . 1.8 t80 -72.83 -27.5 61.99 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.605 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.75 -53.64 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -73.05 -52.98 12.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.699 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.6 -26.01 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.621 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.6 p -98.27 -47.38 5.47 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -99.64 137.11 38.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -85.51 -40.91 15.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -48.36 -39.55 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' LYS . 98.5 m -70.33 -48.22 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.736 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -38.12 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.605 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -25.22 67.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' THR . 14.9 tttt -86.61 -26.51 24.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.29 -49.67 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.634 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -56.71 -33.19 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.346 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -58.62 -33.25 69.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.364 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.0 -49.7 9.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -48.5 78.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.395 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.353 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 pttp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.798 0.332 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -7.93 35.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.68 6.12 43.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.541 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -82.1 -63.81 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.67 156.63 41.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -35.37 77.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -54.14 -47.76 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -64.75 -40.12 94.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.05 -38.54 91.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mt -74.44 -44.9 47.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.398 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.36 -74.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.701 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -36.4 63.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.477 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.56 -86.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.61 -39.53 1.08 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.898 0.38 . . . . 0.0 110.591 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.8 t -43.82 -50.16 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -103.85 8.37 37.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -6.02 19.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.398 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -111.42 -17.94 12.99 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.402 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -120.98 -44.26 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.302 -179.156 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -113.03 -136.99 0.37 Allowed 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.514 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.8 t -142.41 -174.13 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.514 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.5 OUTLIER -57.3 -46.15 83.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 179.626 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -42.35 -28.87 0.61 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -89.09 -42.86 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.633 0.254 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -42.09 -41.7 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.461 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -51.23 -49.63 60.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.12 -33.95 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -63.23 -38.7 92.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.596 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -37.37 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.5 p -79.43 -58.16 3.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.46 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 t -53.86 135.43 42.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.606 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.13 -47.01 9.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 t -55.09 -33.9 63.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.468 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' CYS . 1.8 m -70.41 -53.0 18.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -56.22 -39.83 73.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -73.04 -28.83 62.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -91.21 -11.27 38.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' THR . 14.3 m -94.45 -39.37 10.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -58.48 -33.48 69.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -22.39 61.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.471 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.93 -48.14 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.404 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.85 -46.16 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.8 t60 . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.592 179.872 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.1 mmtp . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.796 0.332 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.49 15.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 4' ' ' LYS . 1.3 pt-20 -130.53 17.5 5.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.596 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -78.94 -74.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.513 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -140.49 161.77 36.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 4.3 mm? -62.98 -36.6 84.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -58.07 -42.18 84.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -65.42 -43.67 89.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.627 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.32 -44.52 97.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.2 mt -65.08 -42.75 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.422 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.89 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.424 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.68 -36.63 16.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.367 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -54.58 -82.88 0.05 OUTLIER Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLY . 45.7 mm-40 -38.64 -50.7 1.63 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.793 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 7.7 t -41.99 -68.06 0.22 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.473 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 2.3 mmp_? -66.98 -5.9 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -92.81 -7.11 47.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.46 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -108.59 -34.05 6.85 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.364 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -63.34 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.539 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -85.15 -125.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.714 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 t -144.17 167.04 23.35 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -58.84 -13.74 7.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.413 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.47 -43.55 10.29 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -62.44 -31.19 71.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.761 0.315 . . . . 0.0 110.392 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.442 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.3 -34.05 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.632 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -73.89 -44.07 56.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.4 mm-40 -58.46 -40.73 83.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 2.2 p -66.55 -45.02 80.76 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.636 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -54.44 -35.0 62.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.224 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.4 p -83.06 -51.32 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.4 m -76.28 141.35 41.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.634 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.07 -47.25 7.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -32.88 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.1 m -81.61 -58.47 3.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -48.24 -26.87 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -70.22 -30.15 67.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.516 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -82.71 -30.1 29.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.437 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' LEU . 21.8 m -68.57 -69.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.576 HE21 ' C ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -45.28 -31.63 1.64 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.41 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.7 -33.57 76.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.146 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.8 mt -81.05 -44.99 17.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.139 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.64 -56.88 13.67 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.608 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.543 ' C ' ' H ' ' A' ' 6' ' ' GLU . 4.7 mtpt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.699 0.285 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.4 9.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.668 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' A' ' 4' ' ' LYS . 11.0 pt-20 -105.58 -0.2 25.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.543 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.624 ' N ' HH12 ' A' ' 11' ' ' ARG . 0.9 OUTLIER -89.74 -158.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.57 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -59.39 -178.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.555 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 7.3 mp -86.95 -22.11 25.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.622 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -49.59 -45.51 47.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 110.648 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.624 HH12 ' N ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -67.4 -42.07 83.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.572 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 3.2 tt0 -57.42 -35.9 70.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.5 mt -68.61 -44.07 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -74.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.455 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -27.46 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.169 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.32 -77.54 0.28 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.81 -33.44 0.08 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.079 0.466 . . . . 0.0 110.455 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 20' ' ' ASP . 1.8 m -61.22 -79.48 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.782 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.411 ' CA ' ' HE ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -77.9 17.83 0.54 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.62 0.248 . . . . 0.0 111.182 -179.451 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 18' ' ' CYS . 38.6 t70 -112.18 -1.35 15.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.079 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.55 -2.56 9.41 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.096 0.474 . . . . 0.0 110.721 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.401 ' H ' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -134.74 -66.81 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.694 -178.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -82.15 -133.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.669 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 5.7 t -140.76 -169.22 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.642 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.461 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.9 OUTLIER -62.25 -39.82 94.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.751 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -50.34 -54.68 19.1 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -58.91 -44.08 91.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 110.719 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.52 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -51.56 -41.85 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.566 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -67.39 -41.74 84.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.055 0.455 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.81 -42.05 88.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.557 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.7 p -65.0 -45.23 86.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.768 0.318 . . . . 0.0 110.706 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.642 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.25 -37.19 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.6 p -79.68 -43.11 23.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.706 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 31' ' ' CYS . 40.1 t -78.59 142.21 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 37' ' ' THR . 1.4 m-20 -90.34 -56.79 3.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.644 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -50.89 -9.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.525 ' H ' ' C ' ' A' ' 35' ' ' ASP . 12.0 m -99.14 -47.25 5.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.69 -37.83 82.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -19.57 62.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -87.38 -20.8 26.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.4 t -77.44 -63.45 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.42 -35.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.31 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.13 -32.15 70.74 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' CYS . 6.4 mt -84.79 -52.84 5.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.269 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.5 -45.86 66.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.885 0.374 . . . . 0.0 110.687 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.1 t60 . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.572 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.538 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.778 0.323 . . . . 0.0 110.741 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.538 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.7 m -92.06 11.95 23.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.15 10.39 40.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.738 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.35 -62.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.554 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.3 m -141.79 147.09 36.72 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.187 0.517 . . . . 0.0 110.751 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 8.9 mp -64.56 -25.45 67.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.455 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -55.83 -64.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.755 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -58.53 -33.73 70.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -64.17 -50.14 69.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.617 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.14 -44.45 98.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.216 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.22 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -29.31 24.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.467 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.47 -86.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.74 -38.25 21.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 48.6 t -42.19 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.503 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.8 mmp_? -57.39 -21.17 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.034 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.42 -10.32 59.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -101.71 -27.14 13.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.393 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -70.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.044 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -78.2 -145.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.499 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.6 t -127.29 -177.96 4.26 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -35.02 74.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.77 -39.19 54.88 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -43.26 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.749 0.309 . . . . 0.0 110.454 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.516 ' CE1' ' SG ' ' A' ' 32' ' ' CYS . 3.6 t80 -47.83 -42.66 26.85 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.703 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -70.31 -47.55 60.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.476 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -41.02 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.376 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -67.48 -55.08 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.449 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.516 ' SG ' ' CE1' ' A' ' 28' ' ' PHE . 15.5 m -39.25 -36.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.47 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.4 p -83.19 -46.08 13.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.4 m -91.31 122.76 34.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.769 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' C ' ' H ' ' A' ' 37' ' ' THR . 9.3 m-20 -80.02 -31.04 39.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -62.32 -5.25 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.403 ' H ' ' C ' ' A' ' 35' ' ' ASP . 22.0 m -101.35 -46.0 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -28.2 65.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -22.58 65.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -90.12 -43.95 10.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.656 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' CZ ' ' A' ' 19' ' ' ARG . 1.4 m -62.78 -54.6 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -53.54 -27.58 26.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.325 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -20.5 63.83 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.261 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 tp -92.98 -54.53 3.7 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.04 -46.66 71.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.639 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.505 179.745 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' A' ' 6' ' ' GLU . 17.8 pttp . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.646 0.26 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 16.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 0.0 110.526 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.538 ' H ' ' C ' ' A' ' 4' ' ' LYS . 15.3 pt-20 -99.97 -9.19 23.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.537 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.53 HD21 ' N ' ' A' ' 7' ' ' ASN . 1.4 m120 -81.3 -115.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.703 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.61 142.11 33.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.476 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.0 mt -56.03 -31.14 62.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -54.22 -36.02 63.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.568 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -65.39 -46.47 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.554 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -34.14 77.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.541 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.8 mt -71.66 -45.54 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 110.17 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . -54.58 -73.79 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.687 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.65 20.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.171 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.85 -77.93 0.21 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -38.99 -36.84 0.31 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.241 0.544 . . . . 0.0 110.209 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.563 ' C ' ' H ' ' A' ' 20' ' ' ASP . 11.3 m -59.61 -80.76 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.028 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -62.75 7.07 0.08 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.325 -178.674 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.563 ' H ' ' C ' ' A' ' 18' ' ' CYS . 4.7 t70 -106.33 -17.75 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.679 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -106.57 -18.35 13.99 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.188 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.15 -51.27 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.335 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -100.21 -126.58 0.18 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.771 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.5 t -152.34 178.61 9.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.557 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.452 ' N ' ' HG1' ' A' ' 24' ' ' THR . 6.5 p-10 -67.67 -6.06 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.521 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.08 -20.76 48.45 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -98.95 -25.42 14.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.412 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.85 -31.34 49.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.379 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -43.76 75.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.457 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.52 -39.47 80.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 5.9 p -73.69 -42.21 61.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 120.861 0.362 . . . . 0.0 110.7 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.59 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -55.43 -31.9 62.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.503 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.0 p -83.4 -48.46 10.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.655 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -73.96 147.77 42.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.68 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -90.09 -60.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.01 -34.47 0.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -72.8 -56.64 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.454 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 4.0 t80 -50.6 -38.31 45.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -25.83 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.507 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -83.15 -28.3 29.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' LEU . 12.8 t -70.37 -66.3 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.587 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 1.3 pt20 -41.58 -34.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.25 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -36.81 85.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.386 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' CYS . 2.8 mt -76.24 -53.71 7.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.417 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -53.46 -48.29 68.98 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.372 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' A' ' 6' ' ' GLU . 2.0 mtmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 11.3 m -65.71 2.5 0.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.66 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 4' ' ' LYS . 1.9 pt-20 -106.63 2.77 26.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -78.93 -82.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.85 170.69 15.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.53 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -34.86 76.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -59.04 -43.06 91.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.285 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -64.43 -47.71 78.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.327 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -55.98 -45.37 78.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.598 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.88 -43.24 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.352 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.12 -69.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.51 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -33.21 68.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.569 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.21 -80.02 0.09 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -46.92 -39.4 12.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.666 0.269 . . . . 0.0 110.69 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 45.4 t -49.7 -45.08 48.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.742 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.403 ' HD2' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -95.46 -10.27 30.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.585 0.231 . . . . 0.0 110.683 -179.68 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.82 -1.83 58.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.705 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -115.4 -4.65 12.32 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.803 0.335 . . . . 0.0 110.186 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.3 -47.35 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -102.31 -138.86 0.35 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.507 ' HG1' ' H ' ' A' ' 25' ' ' ASP . 8.7 t -135.81 -165.03 1.64 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.507 ' H ' ' HG1' ' A' ' 24' ' ' THR . 0.6 OUTLIER -70.35 -40.42 74.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.23 87.91 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -67.26 -45.2 77.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.527 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -49.66 -37.69 29.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -71.48 -43.3 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.468 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.1 -42.01 79.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 6.3 p -68.57 -42.02 78.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.702 0.286 . . . . 0.0 110.764 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.591 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -53.92 -35.64 61.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.359 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 p -79.62 -49.66 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.75 150.1 44.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -90.08 -62.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -44.47 -51.87 8.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.647 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.9 m -55.57 -50.73 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.5 -35.63 78.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -25.59 67.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.39 -22.93 26.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.527 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -83.97 -46.14 12.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.637 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -57.05 -24.91 57.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.393 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 31.5 t0 -76.04 -24.68 55.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.46 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.48 -52.14 10.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.516 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 3.9 mm? -78.69 -37.9 40.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.473 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.2 m80 . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.5 179.731 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' A' ' 6' ' ' GLU . 40.2 mmtt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.758 0.313 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 18.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.3 pt-20 -136.34 16.39 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.521 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -83.33 -82.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.68 158.47 43.62 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.054 0.454 . . . . 0.0 110.455 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.67 -24.49 8.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.356 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.474 ' CG ' ' N ' ' A' ' 11' ' ' ARG . 7.8 ptp180 -55.31 -43.18 74.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 10' ' ' ARG . 25.1 mtp180 -75.44 -42.7 52.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.484 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -40.8 84.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.765 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.0 mt -72.41 -51.19 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.23 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -32.52 25.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.418 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -58.37 -84.44 0.04 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLY . 1.7 mm100 -33.92 -52.88 0.45 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.715 0.293 . . . . 0.0 110.524 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.43 ' C ' ' H ' ' A' ' 20' ' ' ASP . 13.3 m -39.25 -72.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.813 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.69 2.12 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.694 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.4 OUTLIER -102.14 -5.61 24.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -116.35 -22.15 8.94 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 120.872 0.368 . . . . 0.0 110.351 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' H ' ' A' ' 23' ' ' LYS . 2.4 m -117.37 -45.56 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.785 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' H ' HG23 ' A' ' 22' ' ' VAL . 33.4 mmtt -109.66 -138.99 0.38 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.889 0.376 . . . . 0.0 110.713 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 3.0 t -142.59 -166.57 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.478 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.536 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -65.05 -38.88 92.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.118 0.485 . . . . 0.0 110.584 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.52 -45.15 53.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -73.68 -45.97 49.23 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.739 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -38.8 -46.72 1.31 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.502 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.37 -47.98 55.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.49 -30.5 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.7 -38.42 90.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.29 -36.76 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.676 ' HG1' ' H ' ' A' ' 34' ' ' SER . 65.1 p -79.03 -55.73 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.676 ' H ' ' HG1' ' A' ' 33' ' ' THR . 6.0 t -61.85 141.99 57.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.548 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -91.14 -46.75 7.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -52.13 -38.14 56.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.608 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -67.85 -48.17 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -23.77 66.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.652 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -81.83 -34.27 30.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.605 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -84.42 -30.03 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.491 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.6 t -65.53 -68.3 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.514 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' CD ' ' N ' ' A' ' 43' ' ' ASP . 5.1 pp0? -41.89 -40.86 2.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.449 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.432 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 8.9 t0 -55.85 -36.78 67.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.409 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' CYS . 3.5 mt -77.65 -52.04 9.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.338 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.19 -49.65 73.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.721 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' C ' ' H ' ' A' ' 6' ' ' GLU . 1.7 ptpp? . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.728 0.299 . . . . 0.0 110.693 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.528 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 22.7 m -75.64 16.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.362 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -102.57 -10.35 19.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.59 -157.05 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.468 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -51.31 130.44 26.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.409 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.46 -18.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.698 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 8' ' ' SER . 40.9 mmt-85 -60.4 -48.79 80.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -59.04 -42.0 89.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -62.09 -47.06 86.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.709 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mt -63.36 -44.03 98.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.451 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.04 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.618 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -34.69 3.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.158 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.67 -78.0 0.15 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' LYS . 13.6 mm100 -43.36 -47.16 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.498 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -41.96 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.484 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -54.99 -26.02 33.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.51 -7.24 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.464 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLN . 8.6 mmtp -101.8 -26.44 13.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.19 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.9 -55.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -89.09 -112.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.626 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 2.8 t -160.46 177.85 10.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.343 0.592 . . . . 0.0 110.696 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' N ' ' OG1' ' A' ' 24' ' ' THR . 6.0 p-10 -67.93 -14.21 62.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.477 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.02 -29.16 67.28 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.35 -32.97 17.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.694 0.283 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -40.79 -49.03 3.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.737 179.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -64.32 -46.63 82.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -37.45 82.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.5 p -69.59 -40.18 76.85 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.785 0.326 . . . . 0.0 110.654 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.583 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -60.0 -35.61 75.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.492 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.1 p -81.48 -34.35 31.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.667 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' CYS . 25.9 t -89.26 150.82 22.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.488 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -61.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.696 ' HG ' ' H ' ' A' ' 37' ' ' THR . 7.9 p -41.88 -67.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.696 ' H ' ' HG ' ' A' ' 36' ' ' SER . 16.4 m -45.31 -44.97 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -67.89 -30.24 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -67.65 -22.35 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -88.41 -30.85 19.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.598 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.59 -57.14 8.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -51.81 -38.69 56.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.07 -34.09 54.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.85 -53.07 6.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.524 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -55.06 -49.94 70.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.925 0.393 . . . . 0.0 110.758 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.669 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.2 mttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.818 0.342 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 p -95.8 20.16 10.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.519 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -99.85 9.8 42.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -96.91 -68.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.596 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.33 145.54 43.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.526 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -28.27 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.584 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -54.61 -31.71 57.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.509 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -71.26 -56.05 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -31.64 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.479 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.42 -56.69 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.31 -74.59 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.73 -34.87 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.537 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -57.0 -88.46 0.01 OUTLIER Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' GLY . 31.2 mt-30 -33.91 -45.71 0.2 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 110.628 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.562 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 19.0 t -41.31 -77.74 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.522 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.562 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.6 mmp_? -68.35 3.61 1.66 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.012 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -103.52 -2.26 27.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.775 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' HZ1' ' CB ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -121.07 -24.38 5.57 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -110.67 -47.29 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' H ' HG22 ' A' ' 22' ' ' VAL . 23.6 mmtm -110.29 -124.11 0.27 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.483 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.414 ' HG1' ' H ' ' A' ' 25' ' ' ASP . 14.1 t -155.72 -157.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.658 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.414 ' H ' ' HG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -71.3 -45.79 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.714 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.79 -36.92 3.78 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.71 -43.52 18.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.605 0.24 . . . . 0.0 110.753 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.496 ' CZ ' ' SG ' ' A' ' 32' ' ' CYS . 42.0 t80 -43.01 -38.83 2.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.58 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.05 -44.11 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.14 -36.86 75.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.622 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.69 -37.59 84.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.738 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.496 ' SG ' ' CZ ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -73.52 -36.58 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.769 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -79.63 -57.82 3.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.735 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.03 123.67 23.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.708 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -39.16 27.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -56.77 -23.95 46.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.0 m -86.78 -33.59 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -63.06 -27.69 69.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.651 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -40.3 52.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -77.87 -15.37 59.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.613 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.37 -50.92 6.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.456 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.532 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.1 pt20 -56.67 -24.8 51.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -64.46 -29.42 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.35 -43.53 60.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.581 ' H ' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -85.66 -54.91 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' GLN . 12.1 t-80 . . . . . 0 C--O 1.218 -0.575 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.57 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.596 ' C ' ' H ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.942 0.401 . . . . 0.0 110.587 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.509 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 11.6 p -68.16 33.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.596 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -118.62 0.92 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.348 179.752 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -25.06 46.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.557 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -150.56 159.51 44.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.544 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.05 -36.33 79.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.637 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -48.57 -59.12 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.89 -47.25 87.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -39.01 35.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 mt -72.55 -43.42 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.08 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.648 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.18 -36.74 52.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.235 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -54.46 -80.94 0.07 OUTLIER Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.7 mm-40 -37.29 -40.75 0.36 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.276 0.56 . . . . 0.0 110.658 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.544 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -54.84 -79.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.218 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.462 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 13.0 mmp_? -67.28 8.63 0.29 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.909 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.544 ' H ' ' C ' ' A' ' 18' ' ' CYS . 13.7 t70 -108.7 -10.33 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.339 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.77 -15.87 13.72 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.377 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.76 -47.31 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.358 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -108.13 -130.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 4.0 t -145.69 -171.02 3.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.602 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.488 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -68.61 -23.02 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.457 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.92 -31.69 80.36 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -36.8 20.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.619 0.247 . . . . 0.0 110.601 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -38.93 -32.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.658 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -55.66 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.6 -34.78 59.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.3 t -71.97 -33.82 68.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.786 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 5' ' ' CYS . 1.8 t -64.76 -32.79 74.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.82 -51.38 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.374 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 t -53.63 128.73 30.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -81.4 -56.57 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.777 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -47.43 -22.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.3 m -80.62 -61.5 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.635 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.16 -27.85 48.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.649 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -77.42 -34.64 54.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -84.08 -36.67 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.648 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LEU . 20.5 m -67.1 -58.86 4.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.525 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.513 ' NE2' ' OD2' ' A' ' 43' ' ' ASP . 5.1 pp0? -43.5 -40.6 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.341 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.513 ' OD2' ' NE2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -66.74 -32.19 73.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.422 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.5 mt -78.79 -48.99 13.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.346 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.29 -47.9 80.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.715 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.464 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.3 pttm . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.619 0.247 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.7 m -77.49 18.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.62 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -130.53 4.26 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.554 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.96 -49.24 12.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.507 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.55 156.6 44.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.224 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -39.88 81.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.469 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -54.84 -47.89 73.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -57.19 -53.71 55.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -54.15 -43.33 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mt -66.87 -47.67 81.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.28 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -31.62 50.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.205 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.41 -86.39 0.03 OUTLIER Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' GLY . 3.5 mm-40 -37.91 -42.02 0.58 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.066 0.46 . . . . 0.0 110.075 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.508 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 19.0 t -49.87 -83.12 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.069 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.508 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.4 mmp_? -75.96 18.02 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.468 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 18' ' ' CYS . 11.0 t70 -114.01 -10.21 12.9 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.333 0.395 . . . . 0.0 110.257 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -112.2 -27.13 8.47 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.437 HG22 ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -106.13 -69.73 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.666 179.699 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' H ' HG22 ' A' ' 22' ' ' VAL . 34.6 mmtm -80.68 -133.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 10.0 t -144.38 -158.82 0.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.024 0.44 . . . . 0.0 110.827 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.467 ' N ' ' OG1' ' A' ' 24' ' ' THR . 3.8 m-20 -69.83 -42.32 73.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.3 -45.44 21.6 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -69.55 -45.5 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.744 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CZ ' ' SG ' ' A' ' 32' ' ' CYS . 47.7 t80 -48.31 -43.33 32.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.511 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -45.75 75.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.292 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -38.78 81.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.702 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 2.7 p -72.8 -44.11 61.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.794 0.33 . . . . 0.0 110.664 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.613 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 29.6 m -51.09 -36.95 42.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.419 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.618 ' HG1' ' N ' ' A' ' 34' ' ' SER . 68.5 p -81.84 -46.15 14.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.618 ' N ' ' HG1' ' A' ' 33' ' ' THR . 9.3 p -74.35 146.6 42.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -56.11 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.655 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -46.95 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.775 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -63.55 -55.41 24.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.399 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.84 -25.39 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.611 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -83.08 -32.84 26.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -83.44 -17.05 43.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -84.33 -54.1 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.088 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' HIS . 3.4 pt20 -52.01 -27.55 13.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.427 . . . . 0.0 110.511 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -30.17 70.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.636 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -75.68 -42.16 51.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -89.21 -68.73 0.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 7.0 p80 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.564 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 pttm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.768 0.318 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 3.22 5.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.25 11.84 20.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -82.42 -81.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.5 m -142.3 167.68 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.714 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.549 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -47.55 -47.13 28.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.639 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -63.28 -45.61 90.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.595 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.3 -42.18 90.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.06 -46.07 82.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.94 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -49.43 -33.26 13.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.344 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.53 -83.45 0.05 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' GLY . 7.1 mt-30 -34.73 -47.28 0.33 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.952 0.406 . . . . 0.0 110.461 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 4.9 m -44.92 -66.06 0.45 Allowed 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.565 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 5.86 8.09 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.982 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.2 -7.23 21.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -115.36 -0.63 13.1 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.278 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.66 -53.45 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.26 179.603 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -96.55 -137.67 0.26 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.749 0.309 . . . . 0.0 110.543 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 9.5 t -142.85 -165.06 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.9 OUTLIER -66.67 -53.9 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.07 -23.52 3.89 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.75 -50.74 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.717 0.294 . . . . 0.0 110.49 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -34.68 8.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.402 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.07 -42.79 66.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' SER . 4.1 mp0 -72.32 -37.04 69.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.582 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 21.0 t -57.05 -34.3 68.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -41.47 29.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.0 p -79.92 -15.17 57.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' GLU . 97.0 p -101.03 133.15 45.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -83.5 -59.49 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.1 -36.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.662 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -71.64 -55.8 7.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.684 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -46.57 -37.33 7.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.721 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -33.13 71.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.674 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -81.88 -30.25 32.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' LEU . 11.6 t -69.0 -63.69 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -40.5 -39.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.378 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -61.48 -36.87 81.68 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.476 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' CYS . 6.0 mt -72.57 -51.71 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.258 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.9 -51.85 67.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.598 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.505 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.927 0.394 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -74.81 2.64 9.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.603 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -102.99 0.76 32.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -80.29 -60.6 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.93 154.61 35.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.34 -33.47 72.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.431 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -58.33 -46.89 85.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -65.26 -40.9 94.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.583 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -60.35 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.713 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.2 mt -61.17 -49.59 84.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.256 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.68 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.57 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -37.13 46.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.613 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.5 -86.86 0.01 OUTLIER Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -42.13 -45.89 4.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.734 0.302 . . . . 0.0 110.527 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 48.8 t -43.21 -42.15 4.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -106.35 -3.74 20.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.869 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.87 -5.58 41.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.339 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -110.75 -10.12 14.47 Favored 'General case' 0 C--O 1.228 -0.05 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.537 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -129.45 -43.44 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.533 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -110.02 -140.97 0.38 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.591 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.8 t -133.2 -160.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -46.79 68.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.71 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.06 -45.52 26.57 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -65.49 -46.81 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.591 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -50.87 -40.3 56.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.602 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -44.6 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.681 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.29 -48.57 62.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 9.8 p -69.0 -43.54 74.64 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.73 0.3 . . . . 0.0 110.667 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.605 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -50.08 -37.67 34.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.498 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.457 ' HG1' ' H ' ' A' ' 34' ' ' SER . 61.4 p -80.42 -44.37 19.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.452 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.457 ' H ' ' HG1' ' A' ' 33' ' ' THR . 74.8 m -74.72 150.8 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.69 -60.89 1.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' LYS . 8.9 t -41.06 -64.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.469 ' H ' ' HG1' ' A' ' 37' ' ' THR . 1.4 m -42.1 -58.09 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.501 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 3.7 t80 -52.9 -31.14 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' SER . 29.4 tttt -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -89.62 -41.25 12.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.31 -53.32 56.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 8.7 pt20 -48.54 -40.34 26.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 42' ' ' GLN . 3.4 t0 -56.82 -27.54 60.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.441 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -81.0 -58.07 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 3.6 mm? -73.76 -59.36 2.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.716 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' GLN . 1.6 t-80 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.498 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 6' ' ' GLU . 12.2 pttt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.822 0.344 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.7 m -65.44 4.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.657 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' A' ' 4' ' ' LYS . 5.4 pt-20 -110.36 13.59 22.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.651 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.403 ' OD1' ' OG ' ' A' ' 8' ' ' SER . 57.0 t-20 -79.97 -89.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.403 ' OG ' ' OD1' ' A' ' 7' ' ' ASN . 0.7 OUTLIER -138.04 161.62 36.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.503 ' H ' ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -63.19 -37.24 86.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.497 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -53.15 -66.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.07 0.462 . . . . 0.0 110.656 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.559 ' H ' ' CD ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -49.89 -44.75 50.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.591 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.25 -54.62 44.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.7 mt -56.68 -39.31 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.368 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.89 -70.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.667 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -27.17 68.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.716 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.39 -72.34 0.66 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -55.43 -35.34 65.3 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.217 0.532 . . . . 0.0 110.519 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.8 t -52.68 -80.34 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.258 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -54.25 -27.98 38.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.344 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -75.61 -11.24 59.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -98.37 -28.95 13.41 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.345 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.91 -62.82 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.752 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -84.68 -124.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.709 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 7.9 t -148.37 -168.29 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.459 . . . . 0.0 110.621 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.457 ' N ' ' OG1' ' A' ' 24' ' ' THR . 4.2 m-20 -66.47 -40.05 89.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.589 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.66 -41.02 56.63 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -68.87 -44.75 72.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.771 0.32 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -49.49 22.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.395 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.12 -48.55 81.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.483 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.7 mt-10 -51.38 -39.25 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.309 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.571 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -68.32 -58.27 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.436 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.571 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.98 -34.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.438 . . . . 0.0 110.677 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' A' ' 34' ' ' SER . 71.8 p -80.01 -45.13 18.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.471 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.492 ' H ' ' HG1' ' A' ' 33' ' ' THR . 1.2 t -84.56 149.69 25.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.13 0.491 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -91.09 -59.91 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.9 m -40.22 -58.94 1.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -46.73 -56.12 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.637 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.534 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -54.14 -27.83 36.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.462 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -71.32 -21.21 62.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.771 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -89.33 -34.27 16.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -75.83 -39.2 57.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 9.2 pt20 -54.47 -33.91 60.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.168 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.46 -29.21 65.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.95 -53.03 29.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.357 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -76.89 -47.34 21.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.673 179.729 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.427 ' C ' ' H ' ' A' ' 6' ' ' GLU . 36.8 pttt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.821 0.343 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.99 13.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.61 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -112.69 -2.03 14.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -80.16 -67.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.49 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.48 160.9 42.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -36.13 80.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.487 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -53.17 -43.98 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -69.62 -39.31 77.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.91 -41.97 99.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -74.34 -41.42 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.71 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.501 . . . . 0.0 110.608 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -32.26 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.51 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.08 -85.38 0.04 OUTLIER Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' GLY . 3.0 mm-40 -35.23 -47.33 0.4 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 110.728 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.598 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 47.2 t -42.11 -72.22 0.07 Allowed 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.688 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.598 ' NE ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -70.24 0.42 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.679 0.276 . . . . 0.0 110.815 -178.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.66 -10.74 24.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -111.51 -25.0 9.82 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.508 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.468 HG22 ' H ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -110.91 -52.22 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.256 179.799 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' NZ ' ' CE2' ' A' ' 27' ' ' TYR . 21.8 mmtp -100.06 -124.61 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.703 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.51 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.8 t -153.4 -175.4 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.559 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.51 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.2 OUTLIER -66.46 -14.61 62.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.465 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.37 -53.92 7.22 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CE2' ' NZ ' ' A' ' 23' ' ' LYS . 4.2 m-85 -64.4 -35.09 79.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.432 . . . . 0.0 110.574 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -29.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -60.24 -51.64 68.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.493 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -62.44 -27.32 69.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.14 -37.25 75.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.469 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -37.21 60.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.498 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.7 p -80.89 -61.01 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.624 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.7 137.23 58.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -89.78 -44.63 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -56.67 -22.33 33.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m -84.36 -42.48 15.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -55.29 -46.95 76.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 3.4 tttp -63.36 -26.02 68.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.32 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.82 -13.76 33.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.044 0.45 . . . . 0.0 110.729 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.499 ' SG ' ' CZ ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -97.1 -22.47 16.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -30.94 56.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.4 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.37 -40.57 91.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.256 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.7 mm? -63.71 -52.8 58.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.48 -50.0 74.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.67 179.686 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.0 mttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.002 0.43 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 0.83 3.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 4' ' ' LYS . 9.2 pt-20 -92.39 3.75 54.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.777 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -80.32 -77.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.83 171.84 13.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.36 -38.39 78.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.646 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -42.89 73.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.602 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -67.53 -49.41 63.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -53.89 -43.72 69.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.13 -44.81 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.56 -76.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.691 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -34.08 14.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.141 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -60.86 -82.57 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' GLY . 62.9 mm-40 -38.55 -35.96 0.22 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.687 0.28 . . . . 0.0 110.739 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.483 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 44.5 t -58.32 -49.26 77.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.336 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HE ' ' C ' ' A' ' 18' ' ' CYS . 2.7 mmp_? -107.13 7.2 29.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.662 0.268 . . . . 0.0 110.722 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' GLY . 3.1 t70 -103.34 -10.93 18.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.107 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 -3.72 18.31 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.492 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -132.71 -61.93 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.279 -179.511 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -90.91 -144.58 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.7 t -126.66 -172.24 2.59 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.644 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.542 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.2 OUTLIER -60.94 -41.8 96.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.456 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.99 -47.59 32.0 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -64.15 -44.95 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.744 0.307 . . . . 0.0 110.618 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -56.04 -41.13 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.003 0.43 . . . . 0.0 110.267 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.403 ' N ' ' CD2' ' A' ' 28' ' ' PHE . 15.2 t80 -63.95 -42.33 97.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.379 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.8 -44.23 86.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.597 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.567 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 6.5 p -71.52 -40.92 69.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 120.738 0.304 . . . . 0.0 110.77 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.567 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -54.16 -38.17 65.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.569 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.2 p -81.77 -43.57 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.607 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' CYS . 25.4 t -76.6 148.09 37.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.451 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -89.91 -62.58 1.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.88 -58.58 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -50.29 -49.91 52.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.646 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.31 -23.93 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.49 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -72.06 -24.83 61.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.647 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.2 -32.46 22.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.637 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.9 m -70.61 -55.95 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.586 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -49.98 -35.47 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.38 -33.09 74.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.469 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.01 -48.87 56.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.277 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' N ' HD23 ' A' ' 45' ' ' LEU . 4.1 mm? -70.77 -56.64 5.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.492 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.181 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.536 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.804 0.335 . . . . 0.0 110.601 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.536 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -71.33 0.38 8.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.592 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -122.15 16.92 10.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.423 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -89.0 -74.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.364 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -135.42 154.81 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.511 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -58.69 -35.28 72.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.49 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -60.98 -51.1 70.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.489 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -53.1 -42.96 66.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -65.88 -48.88 70.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.67 -38.34 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.82 -70.12 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.657 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.87 -28.43 56.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.479 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -60.55 -82.27 0.07 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLY . 4.9 mt-30 -38.71 -44.81 1.04 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.688 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.586 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 27.1 t -45.48 -73.02 0.05 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.482 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.586 ' NE ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -63.05 -2.61 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.814 0.34 . . . . 0.0 110.332 -179.339 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.9 OUTLIER -100.39 -9.64 22.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -113.23 -15.17 12.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.372 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 23' ' ' LYS . 2.4 m -124.42 -41.15 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' H ' HG23 ' A' ' 22' ' ' VAL . 23.4 mmtp -110.58 -124.35 0.27 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 19' ' ' ARG . 9.8 t -147.77 168.13 22.93 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -60.18 -10.13 4.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.7 -55.05 4.33 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.8 -29.7 70.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.727 0.299 . . . . 0.0 110.532 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.513 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -43.42 -33.17 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -73.84 -47.11 40.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.1 -33.73 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.579 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.7 p -71.53 -42.32 68.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.743 0.306 . . . . 0.0 110.685 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.609 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -58.53 -33.35 69.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.346 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -81.9 -51.17 8.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.532 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -72.55 146.85 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.54 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -63.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.81 -46.59 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.69 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.7 m -63.15 -39.74 95.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.665 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -69.98 -31.47 69.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -68.66 -27.48 66.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -82.67 -22.93 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.723 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.529 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 1.3 m -75.4 -62.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -35.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.419 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.0 -35.76 69.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.46 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' CYS . 22.4 mt -72.82 -52.94 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.252 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.44 -50.97 71.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.772 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.3 t60 . . . . . 0 C--O 1.218 -0.571 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.62 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 110.553 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.26 23.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.453 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.534 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -129.02 2.4 5.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.479 ' CG ' ' H ' ' A' ' 8' ' ' SER . 14.5 p30 -82.27 -109.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.479 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -100.56 131.88 46.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.566 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -49.55 -33.58 15.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.607 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -53.62 -33.14 54.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.501 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' N ' ' HE ' ' A' ' 11' ' ' ARG . 4.2 mmp_? -68.23 -60.43 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -51.08 -38.0 49.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.712 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.85 -45.47 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.25 -71.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.756 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -25.94 55.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.356 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.04 -81.1 0.08 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -43.6 -39.51 3.56 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.947 0.403 . . . . 0.0 110.366 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.453 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 41.2 t -51.46 -59.74 3.91 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.533 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.504 ' CD ' ' SG ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -79.64 4.23 16.67 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.748 -179.495 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.98 -11.47 19.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -108.15 -2.19 19.66 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.216 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.32 -54.69 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.33 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -95.6 -138.47 0.24 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.614 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.525 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.9 t -137.71 -173.55 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.525 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -62.9 -43.77 97.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.49 -37.39 60.36 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.08 -42.13 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.601 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -50.35 -47.43 56.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -63.74 -49.49 72.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.455 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -39.74 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.243 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -69.76 -53.44 18.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.58 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.78 -32.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.575 ' HG1' ' N ' ' A' ' 34' ' ' SER . 25.2 p -87.1 -45.56 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.47 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.575 ' N ' ' HG1' ' A' ' 33' ' ' THR . 2.8 m -84.71 135.03 34.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 0.0 110.8 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 37' ' ' THR . 38.9 t70 -88.41 -44.04 11.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.819 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -59.24 -4.65 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.753 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.452 ' H ' ' C ' ' A' ' 35' ' ' ASP . 13.3 m -104.14 -38.64 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.513 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 9.8 t80 -70.27 -11.99 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.463 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -81.16 -23.2 38.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -89.98 -24.92 21.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.533 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.504 ' SG ' ' CD ' ' A' ' 19' ' ' ARG . 1.2 m -78.07 -60.09 2.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.535 HE21 ' C ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -47.68 -29.2 2.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.287 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.0 -32.59 73.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mt -81.67 -51.55 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.16 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -48.44 70.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.632 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.9 m80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.601 179.869 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.423 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 8.6 pttm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.776 0.322 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.423 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.9 m -73.06 4.87 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.617 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.03 5.66 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.51 -68.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.491 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.52 145.72 49.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.481 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.32 -31.04 63.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.441 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -61.72 -46.16 90.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -61.01 -43.68 98.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -45.66 82.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.65 -40.08 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.938 0.399 . . . . 0.0 110.049 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.482 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . -54.12 -67.38 0.27 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.683 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' O ' ' A' ' 28' ' ' PHE . 3.1 t -57.85 -35.62 71.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.286 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.87 -81.79 0.05 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -40.85 -47.67 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.126 0.488 . . . . 0.0 110.474 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.481 ' C ' ' H ' ' A' ' 20' ' ' ASP . 64.0 m -47.58 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.628 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -60.09 -1.18 0.28 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.197 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' A' ' 18' ' ' CYS . 17.0 t70 -96.89 -12.24 23.72 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.467 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -107.44 -33.49 7.34 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.354 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -70.86 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.65 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -80.54 -147.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.725 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 26' ' ' GLY . 9.7 t -111.25 172.28 6.98 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.554 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -73.47 7.09 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 24' ' ' THR . . . -100.15 -16.21 28.4 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -90.65 -16.28 28.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.585 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 1.6 p90 -52.33 -38.32 58.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -73.19 -33.99 65.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.848 0.356 . . . . 0.0 110.766 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' CD ' ' CE1' ' A' ' 27' ' ' TYR . 1.9 mt-10 -57.85 -46.66 84.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -74.24 -43.77 55.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.425 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.557 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -45.61 -35.95 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.408 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.474 ' HG1' ' N ' ' A' ' 34' ' ' SER . 67.5 p -82.33 -49.26 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.265 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.474 ' N ' ' HG1' ' A' ' 33' ' ' THR . 0.3 OUTLIER -71.86 145.94 48.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -85.53 -59.22 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.65 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.1 t -44.06 -64.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.677 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 m -47.09 -48.41 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -62.47 -33.31 74.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.621 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -33.88 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.592 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -77.94 -32.21 51.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 14' ' ' ALA . 4.0 t -68.47 -65.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.703 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.495 ' NE2' ' OD1' ' A' ' 43' ' ' ASP . 0.8 OUTLIER -44.06 -33.72 1.54 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.474 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.495 ' OD1' ' NE2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -67.93 -33.85 75.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.278 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' CYS . 3.5 mt -73.16 -49.87 25.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.224 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.46 -52.24 58.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.635 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.507 -179.876 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -82.14 77.43 8.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.678 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 m120 61.89 116.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.594 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.567 ' C ' ' H ' ' A' ' 6' ' ' GLU . 54.1 pttt -131.49 -153.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 18.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.656 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -91.87 -16.78 26.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.54 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.52 ' CG ' ' H ' ' A' ' 8' ' ' SER . 61.3 t30 -81.35 -125.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.506 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.52 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 0.5 OUTLIER -88.85 134.8 33.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.377 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -58.5 -5.07 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.676 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 8' ' ' SER . 3.4 ptt180 -57.77 -36.52 72.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.519 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -88.66 -27.95 20.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.732 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.7 -36.32 80.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mt -64.5 -45.38 95.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.234 0.54 . . . . 0.0 109.827 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.72 -70.73 0.09 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.459 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 28' ' ' PHE . 44.2 t -41.72 -42.05 2.46 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.961 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.32 -83.95 0.04 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -43.17 -38.49 2.49 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.469 0.652 . . . . 0.0 110.219 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.538 ' C ' ' H ' ' A' ' 20' ' ' ASP . 23.9 t -55.31 -83.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.358 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.9 mmp_? -63.13 5.39 0.15 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.592 0.234 . . . . 0.0 111.452 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' A' ' 18' ' ' CYS . 22.8 t70 -105.38 -12.14 16.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -111.65 -21.97 11.43 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.291 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.24 -41.87 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -111.36 -124.69 0.27 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.471 ' C ' ' H ' ' A' ' 26' ' ' GLY . 10.9 t -146.31 179.91 7.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.467 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -72.93 11.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 24' ' ' THR . . . -107.97 -7.71 30.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.431 ' C ' ' N ' ' A' ' 29' ' ' TYR . 1.6 m-85 -103.94 -23.83 13.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 120.632 0.253 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.546 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -48.28 -16.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 0.0 110.517 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.431 ' N ' ' C ' ' A' ' 27' ' ' TYR . 1.8 t80 -72.83 -27.5 61.99 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.605 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.75 -53.64 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -73.05 -52.98 12.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.699 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.6 -26.01 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.621 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.6 p -98.27 -47.38 5.47 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -99.64 137.11 38.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -85.51 -40.91 15.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -48.36 -39.55 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' LYS . 98.5 m -70.33 -48.22 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.736 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -38.12 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.605 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -25.22 67.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' THR . 14.9 tttt -86.61 -26.51 24.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.29 -49.67 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.634 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -56.71 -33.19 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.346 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -58.62 -33.25 69.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.364 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.0 -49.7 9.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -48.5 78.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.395 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.353 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.26 92.77 4.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.579 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.97 102.28 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.574 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -153.45 -106.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.598 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -7.93 35.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.68 6.12 43.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.541 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -82.1 -63.81 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.67 156.63 41.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -35.37 77.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -54.14 -47.76 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -64.75 -40.12 94.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.05 -38.54 91.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mt -74.44 -44.9 47.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.398 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.36 -74.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.701 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -36.4 63.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.477 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.56 -86.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.61 -39.53 1.08 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.898 0.38 . . . . 0.0 110.591 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.8 t -43.82 -50.16 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -103.85 8.37 37.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -6.02 19.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.398 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -111.42 -17.94 12.99 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.402 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -120.98 -44.26 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.302 -179.156 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -113.03 -136.99 0.37 Allowed 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.514 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.8 t -142.41 -174.13 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.514 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.5 OUTLIER -57.3 -46.15 83.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 179.626 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -42.35 -28.87 0.61 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -89.09 -42.86 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.633 0.254 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -42.09 -41.7 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.461 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -51.23 -49.63 60.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.12 -33.95 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -63.23 -38.7 92.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.596 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -37.37 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.5 p -79.43 -58.16 3.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.46 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 t -53.86 135.43 42.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.606 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.13 -47.01 9.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 t -55.09 -33.9 63.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.468 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' CYS . 1.8 m -70.41 -53.0 18.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -56.22 -39.83 73.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -73.04 -28.83 62.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -91.21 -11.27 38.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' THR . 14.3 m -94.45 -39.37 10.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -58.48 -33.48 69.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -22.39 61.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.471 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.93 -48.14 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.404 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.85 -46.16 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.8 t60 . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.592 179.872 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.432 ' C ' HD21 ' A' ' 3' ' ' ASN . 0.6 OUTLIER -145.54 16.5 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.49 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.432 HD21 ' C ' ' A' ' 2' ' ' ASP . 1.8 m-80 -124.42 70.11 1.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.706 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.539 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.1 mmtp -103.5 -101.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.444 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.49 15.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 4' ' ' LYS . 1.3 pt-20 -130.53 17.5 5.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.596 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -78.94 -74.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.513 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -140.49 161.77 36.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 4.3 mm? -62.98 -36.6 84.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -58.07 -42.18 84.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -65.42 -43.67 89.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.627 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.32 -44.52 97.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.2 mt -65.08 -42.75 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.422 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.89 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.424 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.68 -36.63 16.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.367 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -54.58 -82.88 0.05 OUTLIER Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLY . 45.7 mm-40 -38.64 -50.7 1.63 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.793 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 7.7 t -41.99 -68.06 0.22 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.473 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 2.3 mmp_? -66.98 -5.9 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -92.81 -7.11 47.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.46 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -108.59 -34.05 6.85 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.364 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -63.34 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.539 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -85.15 -125.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.714 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 t -144.17 167.04 23.35 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -58.84 -13.74 7.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.413 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.47 -43.55 10.29 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -62.44 -31.19 71.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.761 0.315 . . . . 0.0 110.392 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.442 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.3 -34.05 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.632 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -73.89 -44.07 56.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.4 mm-40 -58.46 -40.73 83.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 2.2 p -66.55 -45.02 80.76 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.636 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -54.44 -35.0 62.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.224 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.4 p -83.06 -51.32 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.4 m -76.28 141.35 41.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.634 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.07 -47.25 7.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -32.88 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.1 m -81.61 -58.47 3.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -48.24 -26.87 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -70.22 -30.15 67.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.516 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -82.71 -30.1 29.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.437 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' LEU . 21.8 m -68.57 -69.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.576 HE21 ' C ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -45.28 -31.63 1.64 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.41 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.7 -33.57 76.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.146 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.8 mt -81.05 -44.99 17.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.139 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -62.64 -56.88 13.67 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.608 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.18 71.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.519 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -123.17 83.14 2.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.532 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.543 ' C ' ' H ' ' A' ' 6' ' ' GLU . 4.7 mtpt -143.72 -142.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.4 9.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.668 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' A' ' 4' ' ' LYS . 11.0 pt-20 -105.58 -0.2 25.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.543 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.624 ' N ' HH12 ' A' ' 11' ' ' ARG . 0.9 OUTLIER -89.74 -158.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.57 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -59.39 -178.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.555 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 7.3 mp -86.95 -22.11 25.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.622 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -49.59 -45.51 47.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 110.648 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.624 HH12 ' N ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -67.4 -42.07 83.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.572 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' A' ' 11' ' ' ARG . 3.2 tt0 -57.42 -35.9 70.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.6 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.5 mt -68.61 -44.07 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -74.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.455 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -27.46 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.169 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.32 -77.54 0.28 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.81 -33.44 0.08 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.079 0.466 . . . . 0.0 110.455 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 20' ' ' ASP . 1.8 m -61.22 -79.48 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.782 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.411 ' CA ' ' HE ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -77.9 17.83 0.54 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.62 0.248 . . . . 0.0 111.182 -179.451 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 18' ' ' CYS . 38.6 t70 -112.18 -1.35 15.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.079 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.55 -2.56 9.41 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.096 0.474 . . . . 0.0 110.721 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.401 ' H ' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -134.74 -66.81 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.694 -178.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -82.15 -133.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.669 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 5.7 t -140.76 -169.22 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.642 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.461 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.9 OUTLIER -62.25 -39.82 94.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.751 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -50.34 -54.68 19.1 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -58.91 -44.08 91.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 110.719 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.52 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -51.56 -41.85 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.566 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -67.39 -41.74 84.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.055 0.455 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.81 -42.05 88.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.557 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.7 p -65.0 -45.23 86.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.768 0.318 . . . . 0.0 110.706 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.642 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.25 -37.19 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.6 p -79.68 -43.11 23.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.706 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 31' ' ' CYS . 40.1 t -78.59 142.21 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 37' ' ' THR . 1.4 m-20 -90.34 -56.79 3.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.644 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -50.89 -9.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.525 ' H ' ' C ' ' A' ' 35' ' ' ASP . 12.0 m -99.14 -47.25 5.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.69 -37.83 82.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -19.57 62.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -87.38 -20.8 26.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.4 t -77.44 -63.45 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.42 -35.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.31 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.13 -32.15 70.74 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 41' ' ' CYS . 6.4 mt -84.79 -52.84 5.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.269 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.5 -45.86 66.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.885 0.374 . . . . 0.0 110.687 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.1 t60 . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.572 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -150.15 61.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 8.9 p-10 -175.21 73.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.459 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.538 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -108.47 -119.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.741 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.538 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.7 m -92.06 11.95 23.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.15 10.39 40.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.738 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.35 -62.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.554 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.3 m -141.79 147.09 36.72 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.187 0.517 . . . . 0.0 110.751 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 8.9 mp -64.56 -25.45 67.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.455 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -55.83 -64.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.755 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -58.53 -33.73 70.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -64.17 -50.14 69.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.617 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.14 -44.45 98.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.216 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.22 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -29.31 24.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.467 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.47 -86.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.74 -38.25 21.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 48.6 t -42.19 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.503 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.8 mmp_? -57.39 -21.17 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.034 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.42 -10.32 59.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -101.71 -27.14 13.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.393 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -70.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.044 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -78.2 -145.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.499 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.6 t -127.29 -177.96 4.26 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -35.02 74.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.77 -39.19 54.88 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -43.26 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.749 0.309 . . . . 0.0 110.454 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.516 ' CE1' ' SG ' ' A' ' 32' ' ' CYS . 3.6 t80 -47.83 -42.66 26.85 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.703 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -70.31 -47.55 60.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.476 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -41.02 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.376 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -67.48 -55.08 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.449 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.516 ' SG ' ' CE1' ' A' ' 28' ' ' PHE . 15.5 m -39.25 -36.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.47 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.4 p -83.19 -46.08 13.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.4 m -91.31 122.76 34.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.769 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' C ' ' H ' ' A' ' 37' ' ' THR . 9.3 m-20 -80.02 -31.04 39.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -62.32 -5.25 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.403 ' H ' ' C ' ' A' ' 35' ' ' ASP . 22.0 m -101.35 -46.0 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -28.2 65.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -22.58 65.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -90.12 -43.95 10.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.656 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' CZ ' ' A' ' 19' ' ' ARG . 1.4 m -62.78 -54.6 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -53.54 -27.58 26.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.325 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -20.5 63.83 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.261 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 tp -92.98 -54.53 3.7 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.04 -46.66 71.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.639 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.505 179.745 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.93 72.3 2.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.26 86.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.654 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' A' ' 6' ' ' GLU . 17.8 pttp -149.04 -132.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.565 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 16.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 0.0 110.526 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.538 ' H ' ' C ' ' A' ' 4' ' ' LYS . 15.3 pt-20 -99.97 -9.19 23.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.537 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.53 HD21 ' N ' ' A' ' 7' ' ' ASN . 1.4 m120 -81.3 -115.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.703 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.61 142.11 33.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.476 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.0 mt -56.03 -31.14 62.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -54.22 -36.02 63.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.568 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -65.39 -46.47 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.554 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -34.14 77.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.541 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.8 mt -71.66 -45.54 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 110.17 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . -54.58 -73.79 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.687 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.65 20.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.171 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.85 -77.93 0.21 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -38.99 -36.84 0.31 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.241 0.544 . . . . 0.0 110.209 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.563 ' C ' ' H ' ' A' ' 20' ' ' ASP . 11.3 m -59.61 -80.76 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.028 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -62.75 7.07 0.08 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.325 -178.674 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.563 ' H ' ' C ' ' A' ' 18' ' ' CYS . 4.7 t70 -106.33 -17.75 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.679 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -106.57 -18.35 13.99 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.188 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.15 -51.27 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.335 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -100.21 -126.58 0.18 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.771 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.5 t -152.34 178.61 9.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.557 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.452 ' N ' ' HG1' ' A' ' 24' ' ' THR . 6.5 p-10 -67.67 -6.06 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.521 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.08 -20.76 48.45 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -98.95 -25.42 14.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.412 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.85 -31.34 49.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.379 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -43.76 75.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.457 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.52 -39.47 80.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 5.9 p -73.69 -42.21 61.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 120.861 0.362 . . . . 0.0 110.7 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.59 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -55.43 -31.9 62.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.503 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.0 p -83.4 -48.46 10.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.655 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -73.96 147.77 42.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.68 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -90.09 -60.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.01 -34.47 0.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -72.8 -56.64 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.454 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 4.0 t80 -50.6 -38.31 45.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -25.83 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.507 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -83.15 -28.3 29.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' LEU . 12.8 t -70.37 -66.3 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.587 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 1.3 pt20 -41.58 -34.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.25 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -36.81 85.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.386 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' CYS . 2.8 mt -76.24 -53.71 7.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.417 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -53.46 -48.29 68.98 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.372 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -91.7 78.13 5.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -159.39 91.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.613 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.484 ' C ' ' H ' ' A' ' 6' ' ' GLU . 2.0 mtmt -128.96 -155.98 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.589 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 11.3 m -65.71 2.5 0.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.66 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 4' ' ' LYS . 1.9 pt-20 -106.63 2.77 26.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -78.93 -82.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.85 170.69 15.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.53 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -34.86 76.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -59.04 -43.06 91.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.285 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -64.43 -47.71 78.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.327 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -55.98 -45.37 78.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.598 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.88 -43.24 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.352 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.12 -69.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.51 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -33.21 68.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.569 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.21 -80.02 0.09 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -46.92 -39.4 12.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.666 0.269 . . . . 0.0 110.69 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 45.4 t -49.7 -45.08 48.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.742 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.403 ' HD2' ' N ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -95.46 -10.27 30.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.585 0.231 . . . . 0.0 110.683 -179.68 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.82 -1.83 58.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.705 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -115.4 -4.65 12.32 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.803 0.335 . . . . 0.0 110.186 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.3 -47.35 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -102.31 -138.86 0.35 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.507 ' HG1' ' H ' ' A' ' 25' ' ' ASP . 8.7 t -135.81 -165.03 1.64 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.507 ' H ' ' HG1' ' A' ' 24' ' ' THR . 0.6 OUTLIER -70.35 -40.42 74.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.23 87.91 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -67.26 -45.2 77.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.527 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -49.66 -37.69 29.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -71.48 -43.3 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.468 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.1 -42.01 79.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 6.3 p -68.57 -42.02 78.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.702 0.286 . . . . 0.0 110.764 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.591 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -53.92 -35.64 61.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.359 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 p -79.62 -49.66 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.75 150.1 44.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -90.08 -62.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -44.47 -51.87 8.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.647 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.9 m -55.57 -50.73 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.5 -35.63 78.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -25.59 67.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.39 -22.93 26.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.527 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -83.97 -46.14 12.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.637 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -57.05 -24.91 57.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.393 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 31.5 t0 -76.04 -24.68 55.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.46 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.48 -52.14 10.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.516 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 3.9 mm? -78.69 -37.9 40.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.473 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.2 m80 . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.5 179.731 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.61 96.08 5.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.505 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -113.95 68.16 0.69 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.708 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' A' ' 6' ' ' GLU . 40.2 mmtt -108.76 -100.94 0.38 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.599 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 18.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.3 pt-20 -136.34 16.39 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.521 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -83.33 -82.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.68 158.47 43.62 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.054 0.454 . . . . 0.0 110.455 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.67 -24.49 8.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.356 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.474 ' CG ' ' N ' ' A' ' 11' ' ' ARG . 7.8 ptp180 -55.31 -43.18 74.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 10' ' ' ARG . 25.1 mtp180 -75.44 -42.7 52.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.484 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -40.8 84.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.765 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.0 mt -72.41 -51.19 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.23 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -32.52 25.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.418 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -58.37 -84.44 0.04 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLY . 1.7 mm100 -33.92 -52.88 0.45 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.715 0.293 . . . . 0.0 110.524 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.43 ' C ' ' H ' ' A' ' 20' ' ' ASP . 13.3 m -39.25 -72.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.813 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.69 2.12 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.694 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.4 OUTLIER -102.14 -5.61 24.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -116.35 -22.15 8.94 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 120.872 0.368 . . . . 0.0 110.351 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' H ' ' A' ' 23' ' ' LYS . 2.4 m -117.37 -45.56 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.785 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' H ' HG23 ' A' ' 22' ' ' VAL . 33.4 mmtt -109.66 -138.99 0.38 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.889 0.376 . . . . 0.0 110.713 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 3.0 t -142.59 -166.57 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.478 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.536 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -65.05 -38.88 92.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.118 0.485 . . . . 0.0 110.584 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.52 -45.15 53.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -73.68 -45.97 49.23 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.739 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -38.8 -46.72 1.31 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.502 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.37 -47.98 55.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.49 -30.5 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.7 -38.42 90.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.29 -36.76 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.676 ' HG1' ' H ' ' A' ' 34' ' ' SER . 65.1 p -79.03 -55.73 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.676 ' H ' ' HG1' ' A' ' 33' ' ' THR . 6.0 t -61.85 141.99 57.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.548 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -91.14 -46.75 7.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -52.13 -38.14 56.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.608 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -67.85 -48.17 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -23.77 66.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.652 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -81.83 -34.27 30.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.605 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -84.42 -30.03 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.491 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.6 t -65.53 -68.3 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.514 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' CD ' ' N ' ' A' ' 43' ' ' ASP . 5.1 pp0? -41.89 -40.86 2.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.449 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.432 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 8.9 t0 -55.85 -36.78 67.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.409 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' CYS . 3.5 mt -77.65 -52.04 9.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.338 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -56.19 -49.65 73.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.721 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -103.16 40.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 3' ' ' ASN . 16.4 t-20 -171.25 48.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.777 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' C ' ' H ' ' A' ' 6' ' ' GLU . 1.7 ptpp? -129.17 -140.15 0.24 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.693 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.528 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 22.7 m -75.64 16.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.362 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -102.57 -10.35 19.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.59 -157.05 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.468 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -51.31 130.44 26.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.409 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -47.46 -18.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.698 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 8' ' ' SER . 40.9 mmt-85 -60.4 -48.79 80.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -59.04 -42.0 89.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -62.09 -47.06 86.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.709 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mt -63.36 -44.03 98.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.451 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.04 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.618 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -34.69 3.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.158 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.67 -78.0 0.15 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' LYS . 13.6 mm100 -43.36 -47.16 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.498 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -41.96 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.484 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -54.99 -26.02 33.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.51 -7.24 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.464 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLN . 8.6 mmtp -101.8 -26.44 13.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.19 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.9 -55.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -89.09 -112.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.626 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 2.8 t -160.46 177.85 10.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.343 0.592 . . . . 0.0 110.696 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' N ' ' OG1' ' A' ' 24' ' ' THR . 6.0 p-10 -67.93 -14.21 62.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.477 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.02 -29.16 67.28 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.35 -32.97 17.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.694 0.283 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -40.79 -49.03 3.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.737 179.731 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -64.32 -46.63 82.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -37.45 82.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.5 p -69.59 -40.18 76.85 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.785 0.326 . . . . 0.0 110.654 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.583 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -60.0 -35.61 75.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.492 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.1 p -81.48 -34.35 31.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.667 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' CYS . 25.9 t -89.26 150.82 22.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.488 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -61.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.696 ' HG ' ' H ' ' A' ' 37' ' ' THR . 7.9 p -41.88 -67.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.696 ' H ' ' HG ' ' A' ' 36' ' ' SER . 16.4 m -45.31 -44.97 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -67.89 -30.24 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -67.65 -22.35 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -88.41 -30.85 19.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.598 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.59 -57.14 8.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -51.81 -38.69 56.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.07 -34.09 54.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.85 -53.07 6.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.524 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -55.06 -49.94 70.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.925 0.393 . . . . 0.0 110.758 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.669 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.09 113.0 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.655 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -157.19 64.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.491 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -90.59 -128.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.651 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 p -95.8 20.16 10.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.519 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -99.85 9.8 42.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -96.91 -68.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.596 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.33 145.54 43.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.526 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -28.27 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.584 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -54.61 -31.71 57.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.509 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -71.26 -56.05 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -31.64 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.479 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.42 -56.69 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.31 -74.59 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.73 -34.87 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.537 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -57.0 -88.46 0.01 OUTLIER Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' GLY . 31.2 mt-30 -33.91 -45.71 0.2 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 110.628 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.562 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 19.0 t -41.31 -77.74 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.522 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.562 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.6 mmp_? -68.35 3.61 1.66 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.012 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -103.52 -2.26 27.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.775 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' HZ1' ' CB ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -121.07 -24.38 5.57 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -110.67 -47.29 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' H ' HG22 ' A' ' 22' ' ' VAL . 23.6 mmtm -110.29 -124.11 0.27 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.483 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.414 ' HG1' ' H ' ' A' ' 25' ' ' ASP . 14.1 t -155.72 -157.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.658 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.414 ' H ' ' HG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -71.3 -45.79 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.714 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.79 -36.92 3.78 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.71 -43.52 18.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.605 0.24 . . . . 0.0 110.753 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.496 ' CZ ' ' SG ' ' A' ' 32' ' ' CYS . 42.0 t80 -43.01 -38.83 2.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.58 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -54.05 -44.11 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.14 -36.86 75.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.622 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.69 -37.59 84.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.738 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.496 ' SG ' ' CZ ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -73.52 -36.58 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.769 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.9 p -79.63 -57.82 3.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.735 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.03 123.67 23.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.708 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -39.16 27.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -56.77 -23.95 46.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.0 m -86.78 -33.59 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -63.06 -27.69 69.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.651 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -40.3 52.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -77.87 -15.37 59.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.613 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.37 -50.92 6.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.456 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.532 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.1 pt20 -56.67 -24.8 51.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -64.46 -29.42 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.35 -43.53 60.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.581 ' H ' ' CD2' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -85.66 -54.91 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' GLN . 12.1 t-80 . . . . . 0 C--O 1.218 -0.575 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.57 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -105.23 18.69 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -89.43 57.56 4.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.509 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.596 ' C ' ' H ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -84.9 -179.04 7.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.509 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 11.6 p -68.16 33.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.596 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -118.62 0.92 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.348 179.752 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -25.06 46.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.557 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -150.56 159.51 44.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.544 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.05 -36.33 79.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.637 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -48.57 -59.12 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.89 -47.25 87.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -39.01 35.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 mt -72.55 -43.42 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.08 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.648 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.18 -36.74 52.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.235 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -54.46 -80.94 0.07 OUTLIER Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.7 mm-40 -37.29 -40.75 0.36 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.276 0.56 . . . . 0.0 110.658 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.544 ' C ' ' H ' ' A' ' 20' ' ' ASP . 0.1 OUTLIER -54.84 -79.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.218 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.462 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 13.0 mmp_? -67.28 8.63 0.29 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.909 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.544 ' H ' ' C ' ' A' ' 18' ' ' CYS . 13.7 t70 -108.7 -10.33 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.339 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.77 -15.87 13.72 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.377 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.76 -47.31 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.358 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -108.13 -130.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 4.0 t -145.69 -171.02 3.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.602 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.488 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -68.61 -23.02 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.457 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.92 -31.69 80.36 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -36.8 20.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.619 0.247 . . . . 0.0 110.601 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -38.93 -32.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.658 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -55.66 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.6 -34.78 59.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.3 t -71.97 -33.82 68.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.786 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 5' ' ' CYS . 1.8 t -64.76 -32.79 74.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.82 -51.38 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.374 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 t -53.63 128.73 30.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -81.4 -56.57 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.777 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -47.43 -22.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.3 m -80.62 -61.5 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.635 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.16 -27.85 48.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.649 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -77.42 -34.64 54.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -84.08 -36.67 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.648 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LEU . 20.5 m -67.1 -58.86 4.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.525 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.513 ' NE2' ' OD2' ' A' ' 43' ' ' ASP . 5.1 pp0? -43.5 -40.6 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.341 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.513 ' OD2' ' NE2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -66.74 -32.19 73.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.422 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.5 mt -78.79 -48.99 13.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.346 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.29 -47.9 80.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.715 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 3' ' ' ASN . 11.5 p-10 -149.47 -134.74 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.443 ' N ' ' CG ' ' A' ' 2' ' ' ASP . 3.3 t30 55.61 73.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.3 pttm -133.05 -116.29 0.21 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.7 m -77.49 18.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.62 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -130.53 4.26 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.554 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.96 -49.24 12.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.507 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.55 156.6 44.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.224 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -39.88 81.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.469 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -54.84 -47.89 73.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -57.19 -53.71 55.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -54.15 -43.33 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mt -66.87 -47.67 81.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.28 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -31.62 50.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.205 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.41 -86.39 0.03 OUTLIER Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' GLY . 3.5 mm-40 -37.91 -42.02 0.58 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.066 0.46 . . . . 0.0 110.075 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 19.0 t -49.87 -83.12 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.069 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.508 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.4 mmp_? -75.96 18.02 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.468 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 18' ' ' CYS . 11.0 t70 -114.01 -10.21 12.9 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.333 0.395 . . . . 0.0 110.257 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -112.2 -27.13 8.47 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.437 HG22 ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -106.13 -69.73 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.666 179.699 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' H ' HG22 ' A' ' 22' ' ' VAL . 34.6 mmtm -80.68 -133.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 10.0 t -144.38 -158.82 0.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.024 0.44 . . . . 0.0 110.827 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.467 ' N ' ' OG1' ' A' ' 24' ' ' THR . 3.8 m-20 -69.83 -42.32 73.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.3 -45.44 21.6 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -69.55 -45.5 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.744 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CZ ' ' SG ' ' A' ' 32' ' ' CYS . 47.7 t80 -48.31 -43.33 32.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.511 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -45.75 75.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.292 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -38.78 81.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.702 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 2.7 p -72.8 -44.11 61.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.794 0.33 . . . . 0.0 110.664 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.613 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 29.6 m -51.09 -36.95 42.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.419 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.618 ' HG1' ' N ' ' A' ' 34' ' ' SER . 68.5 p -81.84 -46.15 14.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.618 ' N ' ' HG1' ' A' ' 33' ' ' THR . 9.3 p -74.35 146.6 42.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -56.11 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.655 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -46.95 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.775 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -63.55 -55.41 24.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.399 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.84 -25.39 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.611 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -83.08 -32.84 26.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -83.44 -17.05 43.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -84.33 -54.1 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.088 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' HIS . 3.4 pt20 -52.01 -27.55 13.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.427 . . . . 0.0 110.511 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -30.17 70.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.636 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -75.68 -42.16 51.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -89.21 -68.73 0.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 7.0 p80 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.564 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -130.4 -136.5 0.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.617 ' N ' HD21 ' A' ' 3' ' ' ASN . 0.0 OUTLIER -158.36 77.12 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.63 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -118.44 -110.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.479 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 3.22 5.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.25 11.84 20.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -82.42 -81.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.5 m -142.3 167.68 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.714 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.549 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -47.55 -47.13 28.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.639 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -63.28 -45.61 90.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.595 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.3 -42.18 90.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.06 -46.07 82.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.94 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -49.43 -33.26 13.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.344 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.53 -83.45 0.05 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' GLY . 7.1 mt-30 -34.73 -47.28 0.33 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.952 0.406 . . . . 0.0 110.461 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 4.9 m -44.92 -66.06 0.45 Allowed 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.565 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 5.86 8.09 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.982 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.2 -7.23 21.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -115.36 -0.63 13.1 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.278 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.66 -53.45 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.26 179.603 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -96.55 -137.67 0.26 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.749 0.309 . . . . 0.0 110.543 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 9.5 t -142.85 -165.06 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.9 OUTLIER -66.67 -53.9 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.07 -23.52 3.89 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.75 -50.74 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.717 0.294 . . . . 0.0 110.49 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -34.68 8.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.402 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.07 -42.79 66.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' SER . 4.1 mp0 -72.32 -37.04 69.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.582 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 21.0 t -57.05 -34.3 68.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -41.47 29.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.0 p -79.92 -15.17 57.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' GLU . 97.0 p -101.03 133.15 45.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -83.5 -59.49 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.1 -36.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.662 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -71.64 -55.8 7.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.684 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -46.57 -37.33 7.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.721 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -33.13 71.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.674 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -81.88 -30.25 32.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' LEU . 11.6 t -69.0 -63.69 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -40.5 -39.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.378 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -61.48 -36.87 81.68 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.476 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' CYS . 6.0 mt -72.57 -51.71 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.258 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -60.9 -51.85 67.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.598 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.505 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.99 88.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.534 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 3' ' ' ASN . 8.2 p30 -166.95 86.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.569 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -116.18 -137.87 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -74.81 2.64 9.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.603 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -102.99 0.76 32.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -80.29 -60.6 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.93 154.61 35.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.34 -33.47 72.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.431 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -58.33 -46.89 85.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -65.26 -40.9 94.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.583 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -60.35 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.713 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.2 mt -61.17 -49.59 84.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.256 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.68 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.57 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -37.13 46.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.613 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.5 -86.86 0.01 OUTLIER Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -42.13 -45.89 4.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.734 0.302 . . . . 0.0 110.527 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 48.8 t -43.21 -42.15 4.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -106.35 -3.74 20.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.869 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.87 -5.58 41.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.339 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -110.75 -10.12 14.47 Favored 'General case' 0 C--O 1.228 -0.05 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.537 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -129.45 -43.44 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.533 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -110.02 -140.97 0.38 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.591 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.8 t -133.2 -160.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.52 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -46.79 68.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.71 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.06 -45.52 26.57 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -65.49 -46.81 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.591 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -50.87 -40.3 56.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.602 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -44.6 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.681 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.29 -48.57 62.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 9.8 p -69.0 -43.54 74.64 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.73 0.3 . . . . 0.0 110.667 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.605 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -50.08 -37.67 34.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.498 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.457 ' HG1' ' H ' ' A' ' 34' ' ' SER . 61.4 p -80.42 -44.37 19.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.452 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.457 ' H ' ' HG1' ' A' ' 33' ' ' THR . 74.8 m -74.72 150.8 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.69 -60.89 1.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 39' ' ' LYS . 8.9 t -41.06 -64.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.469 ' H ' ' HG1' ' A' ' 37' ' ' THR . 1.4 m -42.1 -58.09 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.501 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 3.7 t80 -52.9 -31.14 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' SER . 29.4 tttt -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -89.62 -41.25 12.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.31 -53.32 56.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 8.7 pt20 -48.54 -40.34 26.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 42' ' ' GLN . 3.4 t0 -56.82 -27.54 60.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.441 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -81.0 -58.07 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 3.6 mm? -73.76 -59.36 2.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.716 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' GLN . 1.6 t-80 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.498 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -160.02 39.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.494 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -167.13 104.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.515 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.502 ' C ' ' H ' ' A' ' 6' ' ' GLU . 12.2 pttt -147.82 -103.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.7 m -65.44 4.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.657 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.502 ' H ' ' C ' ' A' ' 4' ' ' LYS . 5.4 pt-20 -110.36 13.59 22.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.651 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.403 ' OD1' ' OG ' ' A' ' 8' ' ' SER . 57.0 t-20 -79.97 -89.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.403 ' OG ' ' OD1' ' A' ' 7' ' ' ASN . 0.7 OUTLIER -138.04 161.62 36.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' H ' ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -63.19 -37.24 86.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.497 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -53.15 -66.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.07 0.462 . . . . 0.0 110.656 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.559 ' H ' ' CD ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -49.89 -44.75 50.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.591 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.25 -54.62 44.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.7 mt -56.68 -39.31 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.368 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.89 -70.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.667 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -27.17 68.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.716 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.39 -72.34 0.66 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -55.43 -35.34 65.3 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.217 0.532 . . . . 0.0 110.519 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.8 t -52.68 -80.34 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.258 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -54.25 -27.98 38.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.344 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -75.61 -11.24 59.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -98.37 -28.95 13.41 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.345 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.91 -62.82 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.752 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -84.68 -124.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.709 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 7.9 t -148.37 -168.29 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.459 . . . . 0.0 110.621 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.457 ' N ' ' OG1' ' A' ' 24' ' ' THR . 4.2 m-20 -66.47 -40.05 89.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.589 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.66 -41.02 56.63 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -68.87 -44.75 72.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.771 0.32 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -49.49 22.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.395 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.12 -48.55 81.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.483 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.7 mt-10 -51.38 -39.25 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.309 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.571 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -68.32 -58.27 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.436 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.571 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.98 -34.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.438 . . . . 0.0 110.677 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' A' ' 34' ' ' SER . 71.8 p -80.01 -45.13 18.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.471 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.492 ' H ' ' HG1' ' A' ' 33' ' ' THR . 1.2 t -84.56 149.69 25.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.13 0.491 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -91.09 -59.91 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.9 m -40.22 -58.94 1.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -46.73 -56.12 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.637 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.534 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -54.14 -27.83 36.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.462 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -71.32 -21.21 62.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.771 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -89.33 -34.27 16.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -75.83 -39.2 57.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 9.2 pt20 -54.47 -33.91 60.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.168 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.46 -29.21 65.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.95 -53.03 29.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.357 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -76.89 -47.34 21.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.673 179.729 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -108.55 -141.19 0.38 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -103.76 75.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.558 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' C ' ' H ' ' A' ' 6' ' ' GLU . 36.8 pttt -115.99 -126.87 0.29 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.649 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.99 13.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.61 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -112.69 -2.03 14.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -80.16 -67.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.49 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.48 160.9 42.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -36.13 80.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.487 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -53.17 -43.98 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -69.62 -39.31 77.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.91 -41.97 99.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -74.34 -41.42 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.71 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.501 . . . . 0.0 110.608 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -32.26 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.51 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.08 -85.38 0.04 OUTLIER Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' GLY . 3.0 mm-40 -35.23 -47.33 0.4 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 110.728 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.598 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 47.2 t -42.11 -72.22 0.07 Allowed 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.688 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.598 ' NE ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -70.24 0.42 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.679 0.276 . . . . 0.0 110.815 -178.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.66 -10.74 24.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -111.51 -25.0 9.82 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.508 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.468 HG22 ' H ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -110.91 -52.22 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.256 179.799 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' NZ ' ' CE2' ' A' ' 27' ' ' TYR . 21.8 mmtp -100.06 -124.61 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.703 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.51 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.8 t -153.4 -175.4 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.559 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.51 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.2 OUTLIER -66.46 -14.61 62.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.465 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.37 -53.92 7.22 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CE2' ' NZ ' ' A' ' 23' ' ' LYS . 4.2 m-85 -64.4 -35.09 79.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.432 . . . . 0.0 110.574 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -29.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -60.24 -51.64 68.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.493 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -62.44 -27.32 69.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.14 -37.25 75.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.469 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -37.21 60.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.498 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.7 p -80.89 -61.01 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.624 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.7 137.23 58.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -89.78 -44.63 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -56.67 -22.33 33.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m -84.36 -42.48 15.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -55.29 -46.95 76.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 3.4 tttp -63.36 -26.02 68.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.32 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.82 -13.76 33.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.044 0.45 . . . . 0.0 110.729 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.499 ' SG ' ' CZ ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -97.1 -22.47 16.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -30.94 56.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.4 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.37 -40.57 91.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.256 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 3.7 mm? -63.71 -52.8 58.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.48 -50.0 74.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.67 179.686 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.79 86.27 6.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.608 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -136.21 91.71 2.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.0 mttt -125.45 -150.7 0.45 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.737 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 0.83 3.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 4' ' ' LYS . 9.2 pt-20 -92.39 3.75 54.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.777 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -80.32 -77.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.83 171.84 13.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.36 -38.39 78.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.646 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -42.89 73.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.602 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -67.53 -49.41 63.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.589 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -53.89 -43.72 69.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.13 -44.81 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.56 -76.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.691 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -34.08 14.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.141 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -60.86 -82.57 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' GLY . 62.9 mm-40 -38.55 -35.96 0.22 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.687 0.28 . . . . 0.0 110.739 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.483 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 44.5 t -58.32 -49.26 77.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.336 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.404 ' HE ' ' C ' ' A' ' 18' ' ' CYS . 2.7 mmp_? -107.13 7.2 29.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.662 0.268 . . . . 0.0 110.722 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' GLY . 3.1 t70 -103.34 -10.93 18.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.107 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 -3.72 18.31 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.492 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -132.71 -61.93 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.279 -179.511 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -90.91 -144.58 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.7 t -126.66 -172.24 2.59 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.644 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.542 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.2 OUTLIER -60.94 -41.8 96.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.456 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.99 -47.59 32.0 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -64.15 -44.95 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.744 0.307 . . . . 0.0 110.618 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -56.04 -41.13 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.003 0.43 . . . . 0.0 110.267 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' N ' ' CD2' ' A' ' 28' ' ' PHE . 15.2 t80 -63.95 -42.33 97.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.379 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.8 -44.23 86.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.597 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.567 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 6.5 p -71.52 -40.92 69.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 120.738 0.304 . . . . 0.0 110.77 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.567 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -54.16 -38.17 65.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.569 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.2 p -81.77 -43.57 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.607 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' CYS . 25.4 t -76.6 148.09 37.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.451 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -89.91 -62.58 1.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.88 -58.58 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -50.29 -49.91 52.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.646 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.31 -23.93 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.49 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -72.06 -24.83 61.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.647 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.2 -32.46 22.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.637 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.9 m -70.61 -55.95 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.586 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -49.98 -35.47 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.38 -33.09 74.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.469 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.01 -48.87 56.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.277 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' N ' HD23 ' A' ' 45' ' ' LEU . 4.1 mm? -70.77 -56.64 5.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.492 -178.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.181 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 3' ' ' ASN . 20.2 t70 -103.45 -132.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.424 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 8.7 p-10 -164.55 105.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.585 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.536 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -157.93 -120.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.601 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.536 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -71.33 0.38 8.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.592 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -122.15 16.92 10.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.423 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -89.0 -74.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.364 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -135.42 154.81 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.511 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -58.69 -35.28 72.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.49 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -60.98 -51.1 70.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.489 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -53.1 -42.96 66.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -65.88 -48.88 70.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.67 -38.34 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.82 -70.12 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.657 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.87 -28.43 56.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.479 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -60.55 -82.27 0.07 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLY . 4.9 mt-30 -38.71 -44.81 1.04 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.688 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.586 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 27.1 t -45.48 -73.02 0.05 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.482 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.586 ' NE ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -63.05 -2.61 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.814 0.34 . . . . 0.0 110.332 -179.339 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.9 OUTLIER -100.39 -9.64 22.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -113.23 -15.17 12.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.372 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 23' ' ' LYS . 2.4 m -124.42 -41.15 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.442 ' H ' HG23 ' A' ' 22' ' ' VAL . 23.4 mmtp -110.58 -124.35 0.27 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 19' ' ' ARG . 9.8 t -147.77 168.13 22.93 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -60.18 -10.13 4.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.7 -55.05 4.33 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.8 -29.7 70.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.727 0.299 . . . . 0.0 110.532 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.513 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -43.42 -33.17 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -73.84 -47.11 40.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.1 -33.73 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.579 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.7 p -71.53 -42.32 68.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.743 0.306 . . . . 0.0 110.685 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.609 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -58.53 -33.35 69.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.346 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -81.9 -51.17 8.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.532 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -72.55 146.85 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.54 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -63.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.81 -46.59 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.69 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.7 m -63.15 -39.74 95.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.665 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -69.98 -31.47 69.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -68.66 -27.48 66.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -82.67 -22.93 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.723 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.529 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 1.3 m -75.4 -62.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -35.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.419 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.0 -35.76 69.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.46 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' CYS . 22.4 mt -72.82 -52.94 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.252 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.44 -50.97 71.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.772 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.3 t60 . . . . . 0 C--O 1.218 -0.571 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.62 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -140.74 -133.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.537 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 m120 53.68 98.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.482 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.534 ' C ' ' H ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -132.66 -101.39 0.27 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.26 23.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.453 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.534 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -129.02 2.4 5.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.479 ' CG ' ' H ' ' A' ' 8' ' ' SER . 14.5 p30 -82.27 -109.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.479 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -100.56 131.88 46.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.566 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -49.55 -33.58 15.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.607 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -53.62 -33.14 54.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.501 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' N ' ' HE ' ' A' ' 11' ' ' ARG . 4.2 mmp_? -68.23 -60.43 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -51.08 -38.0 49.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.712 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.85 -45.47 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.25 -71.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.756 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -25.94 55.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.356 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.04 -81.1 0.08 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -43.6 -39.51 3.56 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.947 0.403 . . . . 0.0 110.366 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.453 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 41.2 t -51.46 -59.74 3.91 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.533 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.504 ' CD ' ' SG ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -79.64 4.23 16.67 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.748 -179.495 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.98 -11.47 19.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -108.15 -2.19 19.66 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.216 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.32 -54.69 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.33 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -95.6 -138.47 0.24 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.614 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.525 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.9 t -137.71 -173.55 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.525 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -62.9 -43.77 97.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.49 -37.39 60.36 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.08 -42.13 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.601 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -50.35 -47.43 56.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -63.74 -49.49 72.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.455 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -39.74 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.243 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -69.76 -53.44 18.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.58 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.78 -32.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.575 ' HG1' ' N ' ' A' ' 34' ' ' SER . 25.2 p -87.1 -45.56 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.47 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.575 ' N ' ' HG1' ' A' ' 33' ' ' THR . 2.8 m -84.71 135.03 34.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 0.0 110.8 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 37' ' ' THR . 38.9 t70 -88.41 -44.04 11.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.819 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -59.24 -4.65 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.753 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.452 ' H ' ' C ' ' A' ' 35' ' ' ASP . 13.3 m -104.14 -38.64 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.513 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 9.8 t80 -70.27 -11.99 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.463 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -81.16 -23.2 38.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -89.98 -24.92 21.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.533 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' SG ' ' CD ' ' A' ' 19' ' ' ARG . 1.2 m -78.07 -60.09 2.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.535 HE21 ' C ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -47.68 -29.2 2.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.287 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.0 -32.59 73.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mt -81.67 -51.55 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.16 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -48.44 70.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.632 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.9 m80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.601 179.869 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -104.78 56.2 0.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.642 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -122.84 85.84 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.588 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.423 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 8.6 pttm -130.1 -110.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.502 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.423 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.9 m -73.06 4.87 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.617 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.03 5.66 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.51 -68.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.491 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.52 145.72 49.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.481 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.32 -31.04 63.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.441 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -61.72 -46.16 90.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -61.01 -43.68 98.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -45.66 82.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.65 -40.08 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.938 0.399 . . . . 0.0 110.049 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.482 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . -54.12 -67.38 0.27 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.683 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' O ' ' A' ' 28' ' ' PHE . 3.1 t -57.85 -35.62 71.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.286 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.87 -81.79 0.05 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -40.85 -47.67 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.126 0.488 . . . . 0.0 110.474 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.481 ' C ' ' H ' ' A' ' 20' ' ' ASP . 64.0 m -47.58 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.628 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -60.09 -1.18 0.28 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.197 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' A' ' 18' ' ' CYS . 17.0 t70 -96.89 -12.24 23.72 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.467 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -107.44 -33.49 7.34 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.354 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -70.86 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.65 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -80.54 -147.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.725 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 26' ' ' GLY . 9.7 t -111.25 172.28 6.98 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.554 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -73.47 7.09 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 24' ' ' THR . . . -100.15 -16.21 28.4 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -90.65 -16.28 28.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.585 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 1.6 p90 -52.33 -38.32 58.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -73.19 -33.99 65.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.848 0.356 . . . . 0.0 110.766 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' CD ' ' CE1' ' A' ' 27' ' ' TYR . 1.9 mt-10 -57.85 -46.66 84.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -74.24 -43.77 55.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.425 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.557 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -45.61 -35.95 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.408 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.474 ' HG1' ' N ' ' A' ' 34' ' ' SER . 67.5 p -82.33 -49.26 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.265 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.474 ' N ' ' HG1' ' A' ' 33' ' ' THR . 0.3 OUTLIER -71.86 145.94 48.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -85.53 -59.22 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.65 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.1 t -44.06 -64.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.677 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 m -47.09 -48.41 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -62.47 -33.31 74.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.621 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -33.88 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.592 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -77.94 -32.21 51.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 14' ' ' ALA . 4.0 t -68.47 -65.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.703 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.495 ' NE2' ' OD1' ' A' ' 43' ' ' ASP . 0.8 OUTLIER -44.06 -33.72 1.54 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.474 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.495 ' OD1' ' NE2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -67.93 -33.85 75.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.278 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' CYS . 3.5 mt -73.16 -49.87 25.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.224 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -64.46 -52.24 58.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.635 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.507 -179.876 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' A' ' 6' ' ' GLU . 54.1 pttt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.733 0.301 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 18.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.656 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -91.87 -16.78 26.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.54 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.476 ' CG ' ' H ' ' A' ' 8' ' ' SER . 61.3 t30 -81.35 -125.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.506 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.476 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 0.5 OUTLIER -88.85 134.8 33.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.377 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.498 ' H ' HD12 ' A' ' 9' ' ' LEU . 1.3 mp -58.5 -5.07 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.676 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 8' ' ' SER . 3.4 ptt180 -57.77 -36.52 72.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.519 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -88.66 -27.95 20.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.732 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.7 -36.32 80.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mt -64.5 -45.38 95.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.234 0.54 . . . . 0.0 109.827 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.72 -70.73 0.09 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.459 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 28' ' ' PHE . 44.2 t -41.72 -42.05 2.46 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.961 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.32 -83.95 0.04 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -43.17 -38.49 2.49 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.469 0.652 . . . . 0.0 110.219 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.609 ' O ' HG22 ' A' ' 22' ' ' VAL . 23.9 t -55.31 -83.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.358 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.9 mmp_? -63.13 5.39 0.15 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.592 0.234 . . . . 0.0 111.452 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 18' ' ' CYS . 22.8 t70 -105.38 -12.14 16.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -111.65 -21.97 11.43 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.291 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -110.24 -41.87 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -111.36 -124.69 0.27 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.869 HG23 ' H ' ' A' ' 26' ' ' GLY . 10.9 t -146.31 179.91 7.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.467 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -72.93 11.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.869 ' H ' HG23 ' A' ' 24' ' ' THR . . . -107.97 -7.71 30.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.431 ' C ' ' N ' ' A' ' 29' ' ' TYR . 1.6 m-85 -103.94 -23.83 13.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 120.632 0.253 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.546 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -48.28 -16.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 0.0 110.517 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 33' ' ' THR . 1.8 t80 -72.83 -27.5 61.99 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.605 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.75 -53.64 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -73.05 -52.98 12.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.699 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.6 -26.01 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.621 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 29' ' ' TYR . 63.6 p -98.27 -47.38 5.47 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -99.64 137.11 38.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -85.51 -40.91 15.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -48.36 -39.55 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' LYS . 98.5 m -70.33 -48.22 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.736 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -38.12 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.605 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -25.22 67.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' THR . 14.9 tttt -86.61 -26.51 24.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.29 -49.67 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.634 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -56.71 -33.19 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.346 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -58.62 -33.25 69.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.364 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.0 -49.7 9.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -57.2 -48.5 78.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.395 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.353 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 pttp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.798 0.332 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -7.93 35.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.68 6.12 43.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.541 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -82.1 -63.81 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.67 156.63 41.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -61.63 -35.37 77.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -54.14 -47.76 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -64.75 -40.12 94.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.05 -38.54 91.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mt -74.44 -44.9 47.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.398 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.36 -74.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.701 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -36.4 63.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.477 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.56 -86.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.61 -39.53 1.08 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.898 0.38 . . . . 0.0 110.591 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.8 t -43.82 -50.16 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -103.85 8.37 37.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -6.02 19.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.398 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -111.42 -17.94 12.99 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.402 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -120.98 -44.26 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.302 -179.156 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -113.03 -136.99 0.37 Allowed 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.514 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.8 t -142.41 -174.13 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.514 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.5 OUTLIER -57.3 -46.15 83.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 179.626 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -42.35 -28.87 0.61 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -89.09 -42.86 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.633 0.254 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -42.09 -41.7 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.461 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -51.23 -49.63 60.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.12 -33.95 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -63.23 -38.7 92.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.596 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -37.37 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.5 p -79.43 -58.16 3.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.46 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 t -53.86 135.43 42.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.606 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.13 -47.01 9.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 t -55.09 -33.9 63.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.468 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' CYS . 1.8 m -70.41 -53.0 18.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -56.22 -39.83 73.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -73.04 -28.83 62.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -91.21 -11.27 38.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' THR . 14.3 m -94.45 -39.37 10.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -58.48 -33.48 69.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -22.39 61.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.471 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.93 -48.14 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.404 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 45' ' ' LEU . 4.6 mm? -80.85 -46.16 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.8 t60 . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.592 179.872 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.1 mmtp . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.796 0.332 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.49 15.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' A' ' 4' ' ' LYS . 1.3 pt-20 -130.53 17.5 5.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.596 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -78.94 -74.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.513 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -140.49 161.77 36.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 9' ' ' LEU . 4.3 mm? -62.98 -36.6 84.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -58.07 -42.18 84.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -65.42 -43.67 89.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.627 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.32 -44.52 97.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.2 mt -65.08 -42.75 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.422 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.89 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.424 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.68 -36.63 16.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.367 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -54.58 -82.88 0.05 OUTLIER Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLY . 45.7 mm-40 -38.64 -50.7 1.63 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.793 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 7.7 t -41.99 -68.06 0.22 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.473 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 2.3 mmp_? -66.98 -5.9 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -92.81 -7.11 47.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.46 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -108.59 -34.05 6.85 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.364 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -63.34 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.539 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -85.15 -125.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.714 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 t -144.17 167.04 23.35 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -58.84 -13.74 7.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.413 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.47 -43.55 10.29 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -62.44 -31.19 71.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.761 0.315 . . . . 0.0 110.392 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.442 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.3 -34.05 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.632 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -73.89 -44.07 56.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.4 mm-40 -58.46 -40.73 83.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 2.2 p -66.55 -45.02 80.76 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.636 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -54.44 -35.0 62.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.224 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.4 p -83.06 -51.32 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.4 m -76.28 141.35 41.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.634 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.07 -47.25 7.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -32.88 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.1 m -81.61 -58.47 3.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -48.24 -26.87 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -70.22 -30.15 67.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.516 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -82.71 -30.1 29.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.437 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' LEU . 21.8 m -68.57 -69.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -45.28 -31.63 1.64 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.41 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.7 -33.57 76.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.146 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.8 mt -81.05 -44.99 17.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.139 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.5 mm? -62.64 -56.88 13.67 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.965 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.608 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.511 ' C ' ' H ' ' A' ' 6' ' ' GLU . 4.7 mtpt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.699 0.285 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.4 9.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.668 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 4' ' ' LYS . 11.0 pt-20 -105.58 -0.2 25.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.543 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.633 ' N ' HH12 ' A' ' 11' ' ' ARG . 0.9 OUTLIER -89.74 -158.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.57 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -59.39 -178.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 9' ' ' LEU . 7.3 mp -86.95 -22.11 25.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.622 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -49.59 -45.51 47.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 110.648 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.633 HH12 ' N ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -67.4 -42.07 83.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.572 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.42 -35.9 70.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.6 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.5 mt -68.61 -44.07 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -74.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.455 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -27.46 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.169 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.32 -77.54 0.28 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.81 -33.44 0.08 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.079 0.466 . . . . 0.0 110.455 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.589 ' SG ' HD23 ' A' ' 45' ' ' LEU . 1.8 m -61.22 -79.48 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.782 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.432 ' CA ' ' HE ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -77.9 17.83 0.54 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.62 0.248 . . . . 0.0 111.182 -179.451 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -112.18 -1.35 15.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.079 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.665 ' HG3' HG22 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -121.55 -2.56 9.41 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.096 0.474 . . . . 0.0 110.721 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.665 HG22 ' HG3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -134.74 -66.81 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.694 -178.81 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -82.15 -133.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.669 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 5.7 t -140.76 -169.22 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.642 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.469 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.9 OUTLIER -62.25 -39.82 94.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.751 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -50.34 -54.68 19.1 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -58.91 -44.08 91.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 110.719 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.52 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -51.56 -41.85 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.566 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -67.39 -41.74 84.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.055 0.455 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.81 -42.05 88.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.557 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.7 p -65.0 -45.23 86.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.768 0.318 . . . . 0.0 110.706 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.642 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.25 -37.19 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.6 p -79.68 -43.11 23.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.706 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 31' ' ' CYS . 40.1 t -78.59 142.21 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.477 ' C ' ' H ' ' A' ' 37' ' ' THR . 1.4 m-20 -90.34 -56.79 3.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.644 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -50.89 -9.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.477 ' H ' ' C ' ' A' ' 35' ' ' ASP . 12.0 m -99.14 -47.25 5.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.69 -37.83 82.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -19.57 62.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -87.38 -20.8 26.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.4 t -77.44 -63.45 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.42 -35.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.31 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.13 -32.15 70.74 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' CYS . 6.4 mt -84.79 -52.84 5.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.269 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.589 HD23 ' SG ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -52.5 -45.86 66.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.885 0.374 . . . . 0.0 110.687 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.572 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.778 0.323 . . . . 0.0 110.741 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.507 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.7 m -92.06 11.95 23.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.15 10.39 40.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.738 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.35 -62.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.554 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.3 m -141.79 147.09 36.72 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.187 0.517 . . . . 0.0 110.751 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 9' ' ' LEU . 8.9 mp -64.56 -25.45 67.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.455 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -55.83 -64.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.755 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -58.53 -33.73 70.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -64.17 -50.14 69.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.617 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.14 -44.45 98.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.216 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.22 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -29.31 24.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.467 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.47 -86.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.74 -38.25 21.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 48.6 t -42.19 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.503 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.8 mmp_? -57.39 -21.17 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.034 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.42 -10.32 59.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -101.71 -27.14 13.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.393 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -70.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.044 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -78.2 -145.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.499 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.6 t -127.29 -177.96 4.26 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -35.02 74.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.77 -39.19 54.88 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -43.26 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.749 0.309 . . . . 0.0 110.454 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.516 ' CE1' ' SG ' ' A' ' 32' ' ' CYS . 3.6 t80 -47.83 -42.66 26.85 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.703 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -70.31 -47.55 60.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.476 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -41.02 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.376 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -67.48 -55.08 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.449 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.516 ' SG ' ' CE1' ' A' ' 28' ' ' PHE . 15.5 m -39.25 -36.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.47 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.4 p -83.19 -46.08 13.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.4 m -91.31 122.76 34.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.769 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.02 -31.04 39.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -62.32 -5.25 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.0 m -101.35 -46.0 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -28.2 65.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -22.58 65.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -90.12 -43.95 10.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.656 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' CZ ' ' A' ' 19' ' ' ARG . 1.4 m -62.78 -54.6 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -27.58 26.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.325 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -20.5 63.83 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.261 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 44' ' ' LEU . 4.4 tp -92.98 -54.53 3.7 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.1 mm? -54.04 -46.66 71.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.639 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.505 179.745 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 6' ' ' GLU . 17.8 pttp . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.646 0.26 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 16.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 0.0 110.526 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 4' ' ' LYS . 15.3 pt-20 -99.97 -9.19 23.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.537 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -81.3 -115.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.703 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.61 142.11 33.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.476 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.0 mt -56.03 -31.14 62.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -54.22 -36.02 63.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.568 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -65.39 -46.47 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.554 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -34.14 77.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.541 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.8 mt -71.66 -45.54 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 110.17 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . -54.58 -73.79 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.687 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.65 20.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.171 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.85 -77.93 0.21 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -38.99 -36.84 0.31 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.241 0.544 . . . . 0.0 110.209 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.676 ' SG ' HD23 ' A' ' 45' ' ' LEU . 11.3 m -59.61 -80.76 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.028 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -62.75 7.07 0.08 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.325 -178.674 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 18' ' ' CYS . 4.7 t70 -106.33 -17.75 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.679 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -106.57 -18.35 13.99 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.188 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.15 -51.27 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.335 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -100.21 -126.58 0.18 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.771 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.5 t -152.34 178.61 9.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.557 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' OG1' ' A' ' 24' ' ' THR . 6.5 p-10 -67.67 -6.06 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.521 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.458 ' H ' HG23 ' A' ' 24' ' ' THR . . . -88.08 -20.76 48.45 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -98.95 -25.42 14.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.412 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.85 -31.34 49.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.379 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -43.76 75.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.457 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.52 -39.47 80.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 5.9 p -73.69 -42.21 61.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 120.861 0.362 . . . . 0.0 110.7 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.59 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -55.43 -31.9 62.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.503 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.0 p -83.4 -48.46 10.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.655 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -73.96 147.77 42.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.68 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -90.09 -60.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.01 -34.47 0.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -72.8 -56.64 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.454 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.445 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 4.0 t80 -50.6 -38.31 45.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -25.83 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.507 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -83.15 -28.3 29.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' LEU . 12.8 t -70.37 -66.3 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.445 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 9.2 pt20 -41.58 -34.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.25 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -36.81 85.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.386 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' CYS . 2.8 mt -76.24 -53.71 7.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.417 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.676 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.1 mm? -53.46 -48.29 68.98 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.372 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 6' ' ' GLU . 2.0 mtmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 11.3 m -65.71 2.5 0.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.66 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 4' ' ' LYS . 1.9 pt-20 -106.63 2.77 26.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -78.93 -82.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.85 170.69 15.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.53 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -34.86 76.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -59.04 -43.06 91.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.285 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -64.43 -47.71 78.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.327 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -55.98 -45.37 78.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.598 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.88 -43.24 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.352 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.12 -69.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.51 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -33.21 68.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.569 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.21 -80.02 0.09 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -46.92 -39.4 12.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.666 0.269 . . . . 0.0 110.69 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 45.4 t -49.7 -45.08 48.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.742 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -10.27 30.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.585 0.231 . . . . 0.0 110.683 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.82 -1.83 58.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.705 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -115.4 -4.65 12.32 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.803 0.335 . . . . 0.0 110.186 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.3 -47.35 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -102.31 -138.86 0.35 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 8.7 t -135.81 -165.03 1.64 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.467 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.6 OUTLIER -70.35 -40.42 74.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.23 87.91 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -67.26 -45.2 77.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.527 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -49.66 -37.69 29.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -71.48 -43.3 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.468 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.1 -42.01 79.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 6.3 p -68.57 -42.02 78.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.702 0.286 . . . . 0.0 110.764 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.591 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -53.92 -35.64 61.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.359 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 p -79.62 -49.66 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.75 150.1 44.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -90.08 -62.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -44.47 -51.87 8.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.647 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.9 m -55.57 -50.73 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.5 -35.63 78.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -25.59 67.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.39 -22.93 26.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.527 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -83.97 -46.14 12.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.637 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -57.05 -24.91 57.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.393 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 31.5 t0 -76.04 -24.68 55.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.46 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.48 -52.14 10.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.516 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.9 mm? -78.69 -37.9 40.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.473 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.2 m80 . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.5 179.731 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 6' ' ' GLU . 40.2 mmtt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.758 0.313 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 18.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.3 pt-20 -136.34 16.39 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.521 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -83.33 -82.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.68 158.47 43.62 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.054 0.454 . . . . 0.0 110.455 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.67 -24.49 8.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.356 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.474 ' CG ' ' N ' ' A' ' 11' ' ' ARG . 7.8 ptp180 -55.31 -43.18 74.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 10' ' ' ARG . 25.1 mtp180 -75.44 -42.7 52.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.484 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -40.8 84.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.765 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.0 mt -72.41 -51.19 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.23 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -32.52 25.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.418 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -58.37 -84.44 0.04 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLY . 1.7 mm100 -33.92 -52.88 0.45 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.715 0.293 . . . . 0.0 110.524 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.692 ' O ' HG22 ' A' ' 22' ' ' VAL . 13.3 m -39.25 -72.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.813 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.425 HH21 HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -68.69 2.12 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.694 -179.39 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.14 -5.61 24.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -116.35 -22.15 8.94 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 120.872 0.368 . . . . 0.0 110.351 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 18' ' ' CYS . 2.4 m -117.37 -45.56 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.785 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG2' HG23 ' A' ' 22' ' ' VAL . 33.4 mmtt -109.66 -138.99 0.38 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.889 0.376 . . . . 0.0 110.713 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 3.0 t -142.59 -166.57 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.478 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.536 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -65.05 -38.88 92.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.118 0.485 . . . . 0.0 110.584 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.52 -45.15 53.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -73.68 -45.97 49.23 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.739 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -38.8 -46.72 1.31 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.502 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.37 -47.98 55.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.49 -30.5 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 37' ' ' THR . 8.8 t -64.7 -38.42 90.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.29 -36.76 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -79.03 -55.73 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 t -61.85 141.99 57.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.548 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -91.14 -46.75 7.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -52.13 -38.14 56.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.608 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.477 HG22 ' SG ' ' A' ' 31' ' ' CYS . 11.8 m -67.85 -48.17 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -23.77 66.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.652 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -81.83 -34.27 30.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.605 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -84.42 -30.03 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.491 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.6 t -65.53 -68.3 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.514 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' CD ' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -41.89 -40.86 2.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.449 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.432 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 8.9 t0 -55.85 -36.78 67.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.409 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' CYS . 3.5 mt -77.65 -52.04 9.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.338 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.533 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.2 mm? -56.19 -49.65 73.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.721 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 6' ' ' GLU . 1.7 ptpp? . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.728 0.299 . . . . 0.0 110.693 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.528 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 22.7 m -75.64 16.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.362 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -102.57 -10.35 19.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.59 -157.05 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.468 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -51.31 130.44 26.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.409 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.435 ' H ' HD12 ' A' ' 9' ' ' LEU . 1.3 mp -47.46 -18.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.698 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 8' ' ' SER . 40.9 mmt-85 -60.4 -48.79 80.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -59.04 -42.0 89.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -62.09 -47.06 86.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.709 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mt -63.36 -44.03 98.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.451 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.04 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.618 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -34.69 3.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.158 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.67 -78.0 0.15 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' LYS . 55.0 mm-40 -43.36 -47.16 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.498 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -41.96 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.484 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -54.99 -26.02 33.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.51 -7.24 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.464 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLN . 8.6 mmtp -101.8 -26.44 13.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.19 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.9 -55.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -89.09 -112.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.626 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 2.8 t -160.46 177.85 10.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.343 0.592 . . . . 0.0 110.696 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' N ' ' OG1' ' A' ' 24' ' ' THR . 6.0 p-10 -67.93 -14.21 62.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.477 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.02 -29.16 67.28 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.35 -32.97 17.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.694 0.283 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -40.79 -49.03 3.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.737 179.731 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -64.32 -46.63 82.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -37.45 82.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.5 p -69.59 -40.18 76.85 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.785 0.326 . . . . 0.0 110.654 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.583 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -60.0 -35.61 75.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.492 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.1 p -81.48 -34.35 31.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.667 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' CYS . 25.9 t -89.26 150.82 22.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.488 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -61.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 p -41.88 -67.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.4 m -45.31 -44.97 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -67.89 -30.24 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -67.65 -22.35 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -88.41 -30.85 19.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.598 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.59 -57.14 8.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -51.81 -38.69 56.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.07 -34.09 54.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.85 -53.07 6.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.524 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.1 mm? -55.06 -49.94 70.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.925 0.393 . . . . 0.0 110.758 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.669 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.2 mttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.818 0.342 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 p -95.8 20.16 10.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.519 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -99.85 9.8 42.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -96.91 -68.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.596 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.33 145.54 43.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.526 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -61.76 -28.27 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.584 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -54.61 -31.71 57.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.509 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -71.26 -56.05 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -31.64 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.479 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.42 -56.69 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.31 -74.59 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.73 -34.87 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.537 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -57.0 -88.46 0.01 OUTLIER Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' GLY . 31.2 mt-30 -33.91 -45.71 0.2 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 110.628 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.631 ' O ' HG22 ' A' ' 22' ' ' VAL . 19.0 t -41.31 -77.74 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.522 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.562 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.6 mmp_? -68.35 3.61 1.66 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.012 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -103.52 -2.26 27.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.775 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.07 -24.38 5.57 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -110.67 -47.29 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -110.29 -124.11 0.27 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.483 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 t -155.72 -157.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.658 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.3 -45.79 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.714 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.79 -36.92 3.78 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.71 -43.52 18.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.605 0.24 . . . . 0.0 110.753 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.496 ' CZ ' ' SG ' ' A' ' 32' ' ' CYS . 42.0 t80 -43.01 -38.83 2.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.58 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 33' ' ' THR . 2.5 m-85 -54.05 -44.11 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.55 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.14 -36.86 75.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.622 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.69 -37.59 84.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.738 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.496 ' SG ' ' CZ ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -73.52 -36.58 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.769 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 29' ' ' TYR . 80.9 p -79.63 -57.82 3.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.735 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.03 123.67 23.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.708 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -39.16 27.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -56.77 -23.95 46.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.0 m -86.78 -33.59 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -63.06 -27.69 69.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.651 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -40.3 52.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -77.87 -15.37 59.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.613 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.37 -50.92 6.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.456 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.532 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.1 pt20 -56.67 -24.8 51.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -64.46 -29.42 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.35 -43.53 60.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.916 ' H ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -85.66 -54.91 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' GLN . 12.1 t-80 . . . . . 0 C--O 1.218 -0.575 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.57 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.569 ' C ' ' H ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.942 0.401 . . . . 0.0 110.587 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.509 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 11.6 p -68.16 33.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.569 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -118.62 0.92 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.348 179.752 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -25.06 46.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.557 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -150.56 159.51 44.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.544 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.05 -36.33 79.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.637 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -48.57 -59.12 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.89 -47.25 87.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -39.01 35.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 mt -72.55 -43.42 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.08 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.648 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.18 -36.74 52.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.235 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -54.46 -80.94 0.07 OUTLIER Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.7 mm-40 -37.29 -40.75 0.36 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.276 0.56 . . . . 0.0 110.658 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.579 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -54.84 -79.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.218 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.462 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 13.0 mmp_? -67.28 8.63 0.29 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.909 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' A' ' 18' ' ' CYS . 13.7 t70 -108.7 -10.33 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.339 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HG3' HG22 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.77 -15.87 13.72 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.377 179.443 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.3 OUTLIER -120.76 -47.31 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.358 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -108.13 -130.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 4.0 t -145.69 -171.02 3.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.602 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.488 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -68.61 -23.02 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.457 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.416 ' H ' HG23 ' A' ' 24' ' ' THR . . . -65.92 -31.69 80.36 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -36.8 20.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.619 0.247 . . . . 0.0 110.601 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -38.93 -32.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.658 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -55.66 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.6 -34.78 59.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' SG ' HG22 ' A' ' 37' ' ' THR . 36.3 t -71.97 -33.82 68.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.786 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 5' ' ' CYS . 1.8 t -64.76 -32.79 74.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.82 -51.38 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.374 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 t -53.63 128.73 30.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -81.4 -56.57 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.777 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -47.43 -22.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.481 HG22 ' SG ' ' A' ' 31' ' ' CYS . 5.3 m -80.62 -61.5 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.635 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.16 -27.85 48.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.649 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -77.42 -34.64 54.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -84.08 -36.67 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.648 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LEU . 20.5 m -67.1 -58.86 4.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.525 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -43.5 -40.6 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.341 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.425 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -66.74 -32.19 73.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.422 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.5 mt -78.79 -48.99 13.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.346 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.29 -47.9 80.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.715 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.3 pttm . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.619 0.247 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.7 m -77.49 18.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.62 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -130.53 4.26 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.554 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.96 -49.24 12.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.507 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.55 156.6 44.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.224 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -39.88 81.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.469 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -54.84 -47.89 73.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -57.19 -53.71 55.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -54.15 -43.33 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mt -66.87 -47.67 81.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.28 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -31.62 50.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.205 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.41 -86.39 0.03 OUTLIER Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' GLY . 3.5 mm-40 -37.91 -42.02 0.58 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.066 0.46 . . . . 0.0 110.075 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.508 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 19.0 t -49.87 -83.12 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.069 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.508 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.4 mmp_? -75.96 18.02 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.468 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 18' ' ' CYS . 11.0 t70 -114.01 -10.21 12.9 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.333 0.395 . . . . 0.0 110.257 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -112.2 -27.13 8.47 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.495 HG23 ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -106.13 -69.73 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.666 179.699 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' H ' HG23 ' A' ' 22' ' ' VAL . 34.6 mmtm -80.68 -133.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 10.0 t -144.38 -158.82 0.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.024 0.44 . . . . 0.0 110.827 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.467 ' N ' ' OG1' ' A' ' 24' ' ' THR . 3.8 m-20 -69.83 -42.32 73.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.3 -45.44 21.6 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -69.55 -45.5 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.744 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CZ ' ' SG ' ' A' ' 32' ' ' CYS . 47.7 t80 -48.31 -43.33 32.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.511 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -45.75 75.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.292 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -38.78 81.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.702 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 2.7 p -72.8 -44.11 61.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.794 0.33 . . . . 0.0 110.664 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.613 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 29.6 m -51.09 -36.95 42.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.419 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.5 p -81.84 -46.15 14.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 31' ' ' CYS . 9.3 p -74.35 146.6 42.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -56.11 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.655 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -46.95 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.775 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -63.55 -55.41 24.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.399 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.84 -25.39 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.611 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -83.08 -32.84 26.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -83.44 -17.05 43.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -84.33 -54.1 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.088 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' HIS . 20.0 pt20 -52.01 -27.55 13.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.427 . . . . 0.0 110.511 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -30.17 70.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.636 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -75.68 -42.16 51.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.82 ' H ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -89.21 -68.73 0.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 7.0 p80 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.564 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 pttm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.768 0.318 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 3.22 5.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.25 11.84 20.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -82.42 -81.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.5 m -142.3 167.68 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.714 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.583 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -61.09 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.549 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -47.55 -47.13 28.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.639 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -63.28 -45.61 90.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.595 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.3 -42.18 90.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.06 -46.07 82.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.94 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -49.43 -33.26 13.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.344 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.53 -83.45 0.05 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' GLY . 7.1 mt-30 -34.73 -47.28 0.33 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.952 0.406 . . . . 0.0 110.461 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.582 ' SG ' HD23 ' A' ' 45' ' ' LEU . 4.9 m -44.92 -66.06 0.45 Allowed 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.565 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 5.86 8.09 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.982 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.2 -7.23 21.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -115.36 -0.63 13.1 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.278 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.66 -53.45 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.26 179.603 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -96.55 -137.67 0.26 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.749 0.309 . . . . 0.0 110.543 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 9.5 t -142.85 -165.06 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.9 OUTLIER -66.67 -53.9 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.07 -23.52 3.89 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.75 -50.74 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.717 0.294 . . . . 0.0 110.49 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -34.68 8.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.402 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.07 -42.79 66.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' SER . 4.1 mp0 -72.32 -37.04 69.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.582 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 21.0 t -57.05 -34.3 68.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -41.47 29.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.0 p -79.92 -15.17 57.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' GLU . 97.0 p -101.03 133.15 45.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -83.5 -59.49 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.1 -36.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.662 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -71.64 -55.8 7.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.684 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -46.57 -37.33 7.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.721 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -33.13 71.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.674 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -81.88 -30.25 32.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' LEU . 11.6 t -69.0 -63.69 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -40.5 -39.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.378 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -61.48 -36.87 81.68 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.476 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' CYS . 6.0 mt -72.57 -51.71 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.258 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.582 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.7 mm? -60.9 -51.85 67.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.598 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.505 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.927 0.394 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -74.81 2.64 9.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.603 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -102.99 0.76 32.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -80.29 -60.6 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.93 154.61 35.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.34 -33.47 72.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.431 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -58.33 -46.89 85.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -65.26 -40.9 94.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.583 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -60.35 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.713 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.2 mt -61.17 -49.59 84.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.256 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.68 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.57 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -37.13 46.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.613 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.5 -86.86 0.01 OUTLIER Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -42.13 -45.89 4.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.734 0.302 . . . . 0.0 110.527 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 48.8 t -43.21 -42.15 4.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -106.35 -3.74 20.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.869 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.87 -5.58 41.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.339 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -110.75 -10.12 14.47 Favored 'General case' 0 C--O 1.228 -0.05 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.537 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -129.45 -43.44 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.533 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -110.02 -140.97 0.38 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.591 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 26' ' ' GLY . 14.8 t -133.2 -160.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.52 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -46.79 68.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.71 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.401 ' H ' HG23 ' A' ' 24' ' ' THR . . . -48.06 -45.52 26.57 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -65.49 -46.81 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.591 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -50.87 -40.3 56.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.602 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -44.6 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.681 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.29 -48.57 62.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 9.8 p -69.0 -43.54 74.64 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.73 0.3 . . . . 0.0 110.667 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.605 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -50.08 -37.67 34.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.498 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.4 p -80.42 -44.37 19.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.452 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 31' ' ' CYS . 74.8 m -74.72 150.8 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.69 -60.89 1.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 39' ' ' LYS . 8.9 t -41.06 -64.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -42.1 -58.09 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.501 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 3.7 t80 -52.9 -31.14 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' SER . 29.4 tttt -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -89.62 -41.25 12.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.31 -53.32 56.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 8.7 pt20 -48.54 -40.34 26.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 42' ' ' GLN . 3.4 t0 -56.82 -27.54 60.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.441 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -81.0 -58.07 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.695 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.6 mm? -73.76 -59.36 2.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.716 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' GLN . 1.6 t-80 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.498 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 6' ' ' GLU . 12.2 pttt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.822 0.344 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.421 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.7 m -65.44 4.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.657 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 4' ' ' LYS . 5.4 pt-20 -110.36 13.59 22.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.651 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -79.97 -89.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.04 161.62 36.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.745 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -63.19 -37.24 86.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.497 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -53.15 -66.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.07 0.462 . . . . 0.0 110.656 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.628 ' H ' ' CD ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -49.89 -44.75 50.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.591 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.25 -54.62 44.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.7 mt -56.68 -39.31 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.368 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.89 -70.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.667 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -27.17 68.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.716 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.39 -72.34 0.66 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -55.43 -35.34 65.3 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.217 0.532 . . . . 0.0 110.519 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.8 t -52.68 -80.34 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.258 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -54.25 -27.98 38.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.344 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -75.61 -11.24 59.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -98.37 -28.95 13.41 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.345 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.91 -62.82 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.752 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -84.68 -124.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.709 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 7.9 t -148.37 -168.29 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.459 . . . . 0.0 110.621 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.457 ' N ' ' OG1' ' A' ' 24' ' ' THR . 4.2 m-20 -66.47 -40.05 89.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.589 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.66 -41.02 56.63 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -68.87 -44.75 72.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.771 0.32 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -49.49 22.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.395 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.12 -48.55 81.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.483 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.7 mt-10 -51.38 -39.25 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.309 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.571 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -68.32 -58.27 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.436 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.571 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.98 -34.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.438 . . . . 0.0 110.677 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 71.8 p -80.01 -45.13 18.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.471 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.2 t -84.56 149.69 25.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.13 0.491 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -91.09 -59.91 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.9 m -40.22 -58.94 1.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -46.73 -56.12 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.637 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.534 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -54.14 -27.83 36.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.462 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -71.32 -21.21 62.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.771 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -89.33 -34.27 16.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -75.83 -39.2 57.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 9.2 pt20 -54.47 -33.91 60.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.168 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.46 -29.21 65.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.95 -53.03 29.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.357 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 45' ' ' LEU . 4.6 mm? -76.89 -47.34 21.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.673 179.729 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 pttt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.821 0.343 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.99 13.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.61 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.69 -2.03 14.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -80.16 -67.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.49 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.48 160.9 42.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -36.13 80.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.487 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -53.17 -43.98 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HG2' ' H ' ' A' ' 11' ' ' ARG . 8.9 mmt180 -69.62 -39.31 77.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.91 -41.97 99.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -74.34 -41.42 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.71 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.501 . . . . 0.0 110.608 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -32.26 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.51 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.08 -85.38 0.04 OUTLIER Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.491 ' HB2' HD21 ' A' ' 45' ' ' LEU . 3.0 mm-40 -35.23 -47.33 0.4 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 110.728 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.627 ' O ' HG22 ' A' ' 22' ' ' VAL . 47.2 t -42.11 -72.22 0.07 Allowed 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.688 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.598 ' NE ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -70.24 0.42 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.679 0.276 . . . . 0.0 110.815 -178.809 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.66 -10.74 24.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HG2' HG22 ' A' ' 22' ' ' VAL . 10.1 ptmt -111.51 -25.0 9.82 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.508 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.3 OUTLIER -110.91 -52.22 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.256 179.799 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' NZ ' ' CE2' ' A' ' 27' ' ' TYR . 21.8 mmtp -100.06 -124.61 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.703 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.51 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.8 t -153.4 -175.4 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.559 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.51 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.2 OUTLIER -66.46 -14.61 62.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.465 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.37 -53.92 7.22 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CE2' ' NZ ' ' A' ' 23' ' ' LYS . 4.2 m-85 -64.4 -35.09 79.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.432 . . . . 0.0 110.574 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -29.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -60.24 -51.64 68.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.493 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -62.44 -27.32 69.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.14 -37.25 75.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.469 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -37.21 60.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.498 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.7 p -80.89 -61.01 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.624 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.7 137.23 58.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -89.78 -44.63 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -56.67 -22.33 33.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m -84.36 -42.48 15.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -55.29 -46.95 76.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 3.4 tttp -63.36 -26.02 68.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.32 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.82 -13.76 33.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.044 0.45 . . . . 0.0 110.729 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.499 ' SG ' ' CZ ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -97.1 -22.47 16.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -30.94 56.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.4 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.37 -40.57 91.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.256 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 44' ' ' LEU . 3.7 mm? -63.71 -52.8 58.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 17' ' ' GLN . 1.3 mm? -61.48 -50.0 74.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.67 179.686 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.002 0.43 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 0.83 3.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -92.39 3.75 54.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.777 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -80.32 -77.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.83 171.84 13.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.36 -38.39 78.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.646 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -42.89 73.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.602 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 11' ' ' ARG . 13.2 mmt85 -67.53 -49.41 63.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.589 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -53.89 -43.72 69.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.13 -44.81 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.56 -76.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.691 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -34.08 14.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.141 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -60.86 -82.57 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' GLY . 62.9 mm-40 -38.55 -35.96 0.22 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.687 0.28 . . . . 0.0 110.739 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.483 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 44.5 t -58.32 -49.26 77.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.336 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HE ' ' C ' ' A' ' 18' ' ' CYS . 2.7 mmp_? -107.13 7.2 29.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.662 0.268 . . . . 0.0 110.722 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' GLY . 3.1 t70 -103.34 -10.93 18.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.107 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 -3.72 18.31 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.492 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -132.71 -61.93 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.279 -179.511 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -90.91 -144.58 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.7 t -126.66 -172.24 2.59 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.644 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.542 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.2 OUTLIER -60.94 -41.8 96.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.456 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.99 -47.59 32.0 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -64.15 -44.95 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.744 0.307 . . . . 0.0 110.618 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -56.04 -41.13 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.003 0.43 . . . . 0.0 110.267 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.403 ' N ' ' CD2' ' A' ' 28' ' ' PHE . 15.2 t80 -63.95 -42.33 97.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.379 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.8 -44.23 86.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.597 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.567 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 6.5 p -71.52 -40.92 69.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 120.738 0.304 . . . . 0.0 110.77 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.567 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -54.16 -38.17 65.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.569 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.2 p -81.77 -43.57 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.607 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' CYS . 25.4 t -76.6 148.09 37.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.451 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -89.91 -62.58 1.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.88 -58.58 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -50.29 -49.91 52.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.646 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.31 -23.93 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.49 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -72.06 -24.83 61.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.647 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.2 -32.46 22.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.637 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.9 m -70.61 -55.95 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.586 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -49.98 -35.47 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.38 -33.09 74.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.469 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.01 -48.87 56.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.277 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.77 -56.64 5.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.492 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.181 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.489 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.804 0.335 . . . . 0.0 110.601 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.489 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -71.33 0.38 8.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.592 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -122.15 16.92 10.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.423 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -89.0 -74.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.364 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -135.42 154.81 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.511 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -58.69 -35.28 72.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.49 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -60.98 -51.1 70.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.489 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -53.1 -42.96 66.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -65.88 -48.88 70.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.67 -38.34 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.82 -70.12 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.657 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.87 -28.43 56.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.479 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -60.55 -82.27 0.07 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLY . 4.9 mt-30 -38.71 -44.81 1.04 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.688 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.683 ' O ' HG22 ' A' ' 22' ' ' VAL . 27.1 t -45.48 -73.02 0.05 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.482 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.586 ' NE ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -63.05 -2.61 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.814 0.34 . . . . 0.0 110.332 -179.339 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.9 OUTLIER -100.39 -9.64 22.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -113.23 -15.17 12.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.372 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 18' ' ' CYS . 2.4 m -124.42 -41.15 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.49 ' HG2' HG23 ' A' ' 22' ' ' VAL . 23.4 mmtp -110.58 -124.35 0.27 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.71 HG23 ' H ' ' A' ' 26' ' ' GLY . 9.8 t -147.77 168.13 22.93 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -60.18 -10.13 4.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.71 ' H ' HG23 ' A' ' 24' ' ' THR . . . -77.7 -55.05 4.33 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.8 -29.7 70.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.727 0.299 . . . . 0.0 110.532 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.513 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -43.42 -33.17 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -73.84 -47.11 40.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.1 -33.73 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.579 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.7 p -71.53 -42.32 68.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.743 0.306 . . . . 0.0 110.685 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.609 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -58.53 -33.35 69.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.346 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -81.9 -51.17 8.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.532 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -72.55 146.85 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.54 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -63.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.81 -46.59 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.69 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.7 m -63.15 -39.74 95.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.665 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -69.98 -31.47 69.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -68.66 -27.48 66.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -82.67 -22.93 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.723 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.529 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 1.3 m -75.4 -62.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -35.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.419 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.0 -35.76 69.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.46 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' CYS . 22.4 mt -72.82 -52.94 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.252 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' A' ' 45' ' ' LEU . 2.1 mm? -58.44 -50.97 71.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.772 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.3 t60 . . . . . 0 C--O 1.218 -0.571 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.62 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 110.553 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.26 23.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.453 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -129.02 2.4 5.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.436 ' CG ' ' H ' ' A' ' 8' ' ' SER . 14.5 p30 -82.27 -109.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.436 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -100.56 131.88 46.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.566 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -49.55 -33.58 15.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.607 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -53.62 -33.14 54.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.501 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' N ' ' HE ' ' A' ' 11' ' ' ARG . 4.2 mmp_? -68.23 -60.43 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -51.08 -38.0 49.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.712 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.85 -45.47 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.25 -71.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.756 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -25.94 55.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.356 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.04 -81.1 0.08 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -43.6 -39.51 3.56 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.947 0.403 . . . . 0.0 110.366 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.453 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 41.2 t -51.46 -59.74 3.91 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.533 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.504 ' CD ' ' SG ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -79.64 4.23 16.67 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.748 -179.495 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.98 -11.47 19.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -108.15 -2.19 19.66 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.216 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.32 -54.69 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.33 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -95.6 -138.47 0.24 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.614 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.525 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.9 t -137.71 -173.55 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.525 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -62.9 -43.77 97.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.49 -37.39 60.36 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.08 -42.13 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.601 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -50.35 -47.43 56.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -63.74 -49.49 72.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.455 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -39.74 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.243 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -69.76 -53.44 18.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.58 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.78 -32.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.2 p -87.1 -45.56 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.47 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.48 ' O ' ' O ' ' A' ' 31' ' ' CYS . 2.8 m -84.71 135.03 34.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 0.0 110.8 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 37' ' ' THR . 38.9 t70 -88.41 -44.04 11.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.819 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -59.24 -4.65 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.753 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 35' ' ' ASP . 13.3 m -104.14 -38.64 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.513 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 9.8 t80 -70.27 -11.99 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.463 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -81.16 -23.2 38.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -89.98 -24.92 21.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.533 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.504 ' SG ' ' CD ' ' A' ' 19' ' ' ARG . 1.2 m -78.07 -60.09 2.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -47.68 -29.2 2.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.287 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.0 -32.59 73.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mt -81.67 -51.55 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.16 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -48.44 70.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.632 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.9 m80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.601 179.869 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 pttm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.776 0.322 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 m -73.06 4.87 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.617 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.03 5.66 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.51 -68.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.491 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.52 145.72 49.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.481 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.32 -31.04 63.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.441 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -61.72 -46.16 90.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -61.01 -43.68 98.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -45.66 82.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.65 -40.08 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.938 0.399 . . . . 0.0 110.049 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.482 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . -54.12 -67.38 0.27 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.683 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' O ' ' A' ' 28' ' ' PHE . 3.1 t -57.85 -35.62 71.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.286 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.87 -81.79 0.05 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HB2' HD21 ' A' ' 45' ' ' LEU . 5.3 mm-40 -40.85 -47.67 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.126 0.488 . . . . 0.0 110.474 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.591 ' SG ' HD23 ' A' ' 45' ' ' LEU . 64.0 m -47.58 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.628 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HE ' ' N ' ' A' ' 19' ' ' ARG . 1.4 mmp_? -60.09 -1.18 0.28 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.197 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 18' ' ' CYS . 17.0 t70 -96.89 -12.24 23.72 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.467 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -107.44 -33.49 7.34 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.354 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -70.86 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.65 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -80.54 -147.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.725 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.71 HG23 ' H ' ' A' ' 26' ' ' GLY . 9.7 t -111.25 172.28 6.98 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.554 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -73.47 7.09 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.71 ' H ' HG23 ' A' ' 24' ' ' THR . . . -100.15 -16.21 28.4 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -90.65 -16.28 28.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.585 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 1.6 p90 -52.33 -38.32 58.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -73.19 -33.99 65.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.848 0.356 . . . . 0.0 110.766 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' CD ' ' CE1' ' A' ' 27' ' ' TYR . 1.9 mt-10 -57.85 -46.66 84.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -74.24 -43.77 55.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.425 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.557 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -45.61 -35.95 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.408 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 29' ' ' TYR . 67.5 p -82.33 -49.26 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.265 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -71.86 145.94 48.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -85.53 -59.22 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.65 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.1 t -44.06 -64.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.677 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 m -47.09 -48.41 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -62.47 -33.31 74.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.621 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -33.88 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.592 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -77.94 -32.21 51.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 14' ' ' ALA . 4.0 t -68.47 -65.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.703 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -33.72 1.54 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.474 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -33.85 75.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.278 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' CYS . 3.5 mt -73.16 -49.87 25.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.224 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.591 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.4 mm? -64.46 -52.24 58.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.635 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.507 -179.876 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -82.14 77.43 8.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.678 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 m120 61.89 116.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.594 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' A' ' 6' ' ' GLU . 54.1 pttt -131.49 -153.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 18.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.656 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -91.87 -16.78 26.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.54 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.476 ' CG ' ' H ' ' A' ' 8' ' ' SER . 61.3 t30 -81.35 -125.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.506 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.476 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 0.5 OUTLIER -88.85 134.8 33.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.377 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.498 ' H ' HD12 ' A' ' 9' ' ' LEU . 1.3 mp -58.5 -5.07 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.676 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 8' ' ' SER . 3.4 ptt180 -57.77 -36.52 72.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.519 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -88.66 -27.95 20.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.732 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.7 -36.32 80.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mt -64.5 -45.38 95.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.234 0.54 . . . . 0.0 109.827 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.72 -70.73 0.09 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.459 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 28' ' ' PHE . 44.2 t -41.72 -42.05 2.46 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.961 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.32 -83.95 0.04 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -43.17 -38.49 2.49 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.469 0.652 . . . . 0.0 110.219 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.609 ' O ' HG22 ' A' ' 22' ' ' VAL . 23.9 t -55.31 -83.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.358 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.9 mmp_? -63.13 5.39 0.15 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.592 0.234 . . . . 0.0 111.452 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 18' ' ' CYS . 22.8 t70 -105.38 -12.14 16.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -111.65 -21.97 11.43 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.291 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -110.24 -41.87 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -111.36 -124.69 0.27 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.869 HG23 ' H ' ' A' ' 26' ' ' GLY . 10.9 t -146.31 179.91 7.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.467 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -72.93 11.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.869 ' H ' HG23 ' A' ' 24' ' ' THR . . . -107.97 -7.71 30.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.431 ' C ' ' N ' ' A' ' 29' ' ' TYR . 1.6 m-85 -103.94 -23.83 13.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 120.632 0.253 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.546 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -48.28 -16.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 0.0 110.517 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 33' ' ' THR . 1.8 t80 -72.83 -27.5 61.99 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.605 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.75 -53.64 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -73.05 -52.98 12.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.699 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.6 -26.01 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.621 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 29' ' ' TYR . 63.6 p -98.27 -47.38 5.47 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -99.64 137.11 38.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -85.51 -40.91 15.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -48.36 -39.55 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' LYS . 98.5 m -70.33 -48.22 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.736 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -38.12 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.605 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -25.22 67.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' THR . 14.9 tttt -86.61 -26.51 24.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.29 -49.67 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.634 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -56.71 -33.19 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.346 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -58.62 -33.25 69.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.364 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.0 -49.7 9.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -57.2 -48.5 78.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.395 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.353 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.26 92.77 4.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.579 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.97 102.28 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.574 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -153.45 -106.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.598 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -7.93 35.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.68 6.12 43.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.541 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -82.1 -63.81 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.67 156.63 41.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -61.63 -35.37 77.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -54.14 -47.76 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -64.75 -40.12 94.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.05 -38.54 91.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mt -74.44 -44.9 47.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.398 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.36 -74.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.701 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -36.4 63.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.477 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.56 -86.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.61 -39.53 1.08 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.898 0.38 . . . . 0.0 110.591 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.8 t -43.82 -50.16 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -103.85 8.37 37.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -6.02 19.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.398 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -111.42 -17.94 12.99 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.402 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -120.98 -44.26 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.302 -179.156 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -113.03 -136.99 0.37 Allowed 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.514 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.8 t -142.41 -174.13 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.514 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.5 OUTLIER -57.3 -46.15 83.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 179.626 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -42.35 -28.87 0.61 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -89.09 -42.86 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.633 0.254 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -42.09 -41.7 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.461 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -51.23 -49.63 60.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.12 -33.95 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -63.23 -38.7 92.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.596 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -37.37 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.5 p -79.43 -58.16 3.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.46 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 t -53.86 135.43 42.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.606 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.13 -47.01 9.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 t -55.09 -33.9 63.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.468 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' CYS . 1.8 m -70.41 -53.0 18.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -56.22 -39.83 73.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -73.04 -28.83 62.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -91.21 -11.27 38.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' THR . 14.3 m -94.45 -39.37 10.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -58.48 -33.48 69.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -22.39 61.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.471 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.93 -48.14 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.404 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 45' ' ' LEU . 4.6 mm? -80.85 -46.16 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.8 t60 . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.592 179.872 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -145.54 16.5 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.49 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -124.42 70.11 1.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.706 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.1 mmtp -103.5 -101.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.444 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.49 15.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' A' ' 4' ' ' LYS . 1.3 pt-20 -130.53 17.5 5.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.596 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -78.94 -74.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.513 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -140.49 161.77 36.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 9' ' ' LEU . 4.3 mm? -62.98 -36.6 84.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -58.07 -42.18 84.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -65.42 -43.67 89.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.627 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.32 -44.52 97.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.2 mt -65.08 -42.75 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.422 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.89 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.424 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.68 -36.63 16.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.367 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -54.58 -82.88 0.05 OUTLIER Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLY . 45.7 mm-40 -38.64 -50.7 1.63 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.793 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 7.7 t -41.99 -68.06 0.22 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.473 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 2.3 mmp_? -66.98 -5.9 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -92.81 -7.11 47.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.46 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -108.59 -34.05 6.85 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.364 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -63.34 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.539 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -85.15 -125.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.714 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 t -144.17 167.04 23.35 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -58.84 -13.74 7.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.413 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.47 -43.55 10.29 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -62.44 -31.19 71.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.761 0.315 . . . . 0.0 110.392 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.442 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.3 -34.05 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.632 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -73.89 -44.07 56.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.4 mm-40 -58.46 -40.73 83.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 2.2 p -66.55 -45.02 80.76 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.636 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -54.44 -35.0 62.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.224 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.4 p -83.06 -51.32 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.4 m -76.28 141.35 41.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.634 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.07 -47.25 7.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -32.88 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.1 m -81.61 -58.47 3.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -48.24 -26.87 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -70.22 -30.15 67.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.516 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -82.71 -30.1 29.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.437 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' LEU . 21.8 m -68.57 -69.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -45.28 -31.63 1.64 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.41 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.7 -33.57 76.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.146 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.8 mt -81.05 -44.99 17.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.139 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.5 mm? -62.64 -56.88 13.67 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.965 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.608 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.18 71.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.519 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -123.17 83.14 2.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.532 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.511 ' C ' ' H ' ' A' ' 6' ' ' GLU . 4.7 mtpt -143.72 -142.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.4 9.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.668 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 4' ' ' LYS . 11.0 pt-20 -105.58 -0.2 25.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.543 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.633 ' N ' HH12 ' A' ' 11' ' ' ARG . 0.9 OUTLIER -89.74 -158.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.57 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -59.39 -178.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 9' ' ' LEU . 7.3 mp -86.95 -22.11 25.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.622 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -49.59 -45.51 47.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 110.648 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.633 HH12 ' N ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -67.4 -42.07 83.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.572 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.42 -35.9 70.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.6 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.5 mt -68.61 -44.07 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -74.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.455 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -27.46 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.169 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.32 -77.54 0.28 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.81 -33.44 0.08 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.079 0.466 . . . . 0.0 110.455 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.589 ' SG ' HD23 ' A' ' 45' ' ' LEU . 1.8 m -61.22 -79.48 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.782 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.432 ' CA ' ' HE ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -77.9 17.83 0.54 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.62 0.248 . . . . 0.0 111.182 -179.451 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -112.18 -1.35 15.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.079 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.665 ' HG3' HG22 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -121.55 -2.56 9.41 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.096 0.474 . . . . 0.0 110.721 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.665 HG22 ' HG3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -134.74 -66.81 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.694 -178.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -82.15 -133.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.669 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 5.7 t -140.76 -169.22 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.642 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.469 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.9 OUTLIER -62.25 -39.82 94.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.751 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -50.34 -54.68 19.1 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -58.91 -44.08 91.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 110.719 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.52 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -51.56 -41.85 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.566 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -67.39 -41.74 84.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.055 0.455 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.81 -42.05 88.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.557 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.7 p -65.0 -45.23 86.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.768 0.318 . . . . 0.0 110.706 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.642 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.25 -37.19 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.6 p -79.68 -43.11 23.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.706 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 31' ' ' CYS . 40.1 t -78.59 142.21 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.477 ' C ' ' H ' ' A' ' 37' ' ' THR . 1.4 m-20 -90.34 -56.79 3.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.644 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -50.89 -9.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.477 ' H ' ' C ' ' A' ' 35' ' ' ASP . 12.0 m -99.14 -47.25 5.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.69 -37.83 82.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -19.57 62.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -87.38 -20.8 26.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.4 t -77.44 -63.45 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.42 -35.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.31 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.13 -32.15 70.74 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' CYS . 6.4 mt -84.79 -52.84 5.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.269 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.589 HD23 ' SG ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -52.5 -45.86 66.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.885 0.374 . . . . 0.0 110.687 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.572 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -150.15 61.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 8.9 p-10 -175.21 73.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.459 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -108.47 -119.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.741 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.507 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.7 m -92.06 11.95 23.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.15 10.39 40.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.738 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.35 -62.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.554 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.3 m -141.79 147.09 36.72 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.187 0.517 . . . . 0.0 110.751 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 9' ' ' LEU . 8.9 mp -64.56 -25.45 67.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.455 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -55.83 -64.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.755 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -58.53 -33.73 70.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -64.17 -50.14 69.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.617 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.14 -44.45 98.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.216 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.22 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -29.31 24.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.467 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.47 -86.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.74 -38.25 21.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 48.6 t -42.19 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.503 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.8 mmp_? -57.39 -21.17 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.034 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.42 -10.32 59.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -101.71 -27.14 13.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.393 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -70.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.044 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -78.2 -145.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.499 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.6 t -127.29 -177.96 4.26 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -35.02 74.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.77 -39.19 54.88 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -43.26 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.749 0.309 . . . . 0.0 110.454 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.516 ' CE1' ' SG ' ' A' ' 32' ' ' CYS . 3.6 t80 -47.83 -42.66 26.85 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.703 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -70.31 -47.55 60.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.476 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -41.02 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.376 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -67.48 -55.08 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.449 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.516 ' SG ' ' CE1' ' A' ' 28' ' ' PHE . 15.5 m -39.25 -36.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.47 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.4 p -83.19 -46.08 13.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.4 m -91.31 122.76 34.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.769 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.02 -31.04 39.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -62.32 -5.25 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.0 m -101.35 -46.0 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -28.2 65.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -22.58 65.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -90.12 -43.95 10.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.656 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' CZ ' ' A' ' 19' ' ' ARG . 1.4 m -62.78 -54.6 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -27.58 26.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.325 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -20.5 63.83 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.261 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 44' ' ' LEU . 4.4 tp -92.98 -54.53 3.7 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.1 mm? -54.04 -46.66 71.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.639 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.505 179.745 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.93 72.3 2.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.26 86.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.654 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 6' ' ' GLU . 17.8 pttp -149.04 -132.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.565 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 16.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 0.0 110.526 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 4' ' ' LYS . 15.3 pt-20 -99.97 -9.19 23.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.537 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -81.3 -115.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.703 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.61 142.11 33.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.476 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.0 mt -56.03 -31.14 62.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -54.22 -36.02 63.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.568 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -65.39 -46.47 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.554 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -34.14 77.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.541 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.8 mt -71.66 -45.54 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 110.17 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . -54.58 -73.79 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.687 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.65 20.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.171 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.85 -77.93 0.21 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -38.99 -36.84 0.31 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.241 0.544 . . . . 0.0 110.209 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.676 ' SG ' HD23 ' A' ' 45' ' ' LEU . 11.3 m -59.61 -80.76 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.028 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -62.75 7.07 0.08 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.325 -178.674 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 18' ' ' CYS . 4.7 t70 -106.33 -17.75 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.679 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -106.57 -18.35 13.99 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.188 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.15 -51.27 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.335 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -100.21 -126.58 0.18 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.771 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.5 t -152.34 178.61 9.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.557 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' OG1' ' A' ' 24' ' ' THR . 6.5 p-10 -67.67 -6.06 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.521 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.458 ' H ' HG23 ' A' ' 24' ' ' THR . . . -88.08 -20.76 48.45 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -98.95 -25.42 14.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.412 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.85 -31.34 49.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.379 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -43.76 75.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.457 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.52 -39.47 80.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 5.9 p -73.69 -42.21 61.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 120.861 0.362 . . . . 0.0 110.7 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.59 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -55.43 -31.9 62.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.503 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.0 p -83.4 -48.46 10.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.655 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -73.96 147.77 42.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.68 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -90.09 -60.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.01 -34.47 0.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -72.8 -56.64 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.454 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.445 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 4.0 t80 -50.6 -38.31 45.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -25.83 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.507 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -83.15 -28.3 29.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' LEU . 12.8 t -70.37 -66.3 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.445 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 9.2 pt20 -41.58 -34.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.25 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -36.81 85.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.386 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' CYS . 2.8 mt -76.24 -53.71 7.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.417 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.676 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.1 mm? -53.46 -48.29 68.98 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.372 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -91.7 78.13 5.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -159.39 91.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.613 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 6' ' ' GLU . 2.0 mtmt -128.96 -155.98 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.589 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 11.3 m -65.71 2.5 0.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.66 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 4' ' ' LYS . 1.9 pt-20 -106.63 2.77 26.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -78.93 -82.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.85 170.69 15.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.53 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -34.86 76.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -59.04 -43.06 91.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.285 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -64.43 -47.71 78.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.327 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -55.98 -45.37 78.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.598 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.88 -43.24 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.352 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.12 -69.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.51 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -33.21 68.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.569 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.21 -80.02 0.09 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -46.92 -39.4 12.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.666 0.269 . . . . 0.0 110.69 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 45.4 t -49.7 -45.08 48.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.742 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -10.27 30.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.585 0.231 . . . . 0.0 110.683 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.82 -1.83 58.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.705 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -115.4 -4.65 12.32 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.803 0.335 . . . . 0.0 110.186 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.3 -47.35 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -102.31 -138.86 0.35 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 8.7 t -135.81 -165.03 1.64 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.467 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.6 OUTLIER -70.35 -40.42 74.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.23 87.91 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -67.26 -45.2 77.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.527 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -49.66 -37.69 29.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -71.48 -43.3 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.468 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.1 -42.01 79.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 6.3 p -68.57 -42.02 78.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.702 0.286 . . . . 0.0 110.764 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.591 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -53.92 -35.64 61.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.359 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 p -79.62 -49.66 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.75 150.1 44.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -90.08 -62.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -44.47 -51.87 8.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.647 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.9 m -55.57 -50.73 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.5 -35.63 78.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -25.59 67.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.39 -22.93 26.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.527 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -83.97 -46.14 12.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.637 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -57.05 -24.91 57.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.393 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 31.5 t0 -76.04 -24.68 55.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.46 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.48 -52.14 10.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.516 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.9 mm? -78.69 -37.9 40.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.473 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.2 m80 . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.5 179.731 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.61 96.08 5.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.505 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -113.95 68.16 0.69 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.708 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 6' ' ' GLU . 40.2 mmtt -108.76 -100.94 0.38 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.599 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 18.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.3 pt-20 -136.34 16.39 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.521 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -83.33 -82.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.68 158.47 43.62 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.054 0.454 . . . . 0.0 110.455 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.67 -24.49 8.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.356 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.474 ' CG ' ' N ' ' A' ' 11' ' ' ARG . 7.8 ptp180 -55.31 -43.18 74.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 10' ' ' ARG . 25.1 mtp180 -75.44 -42.7 52.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.484 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -40.8 84.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.765 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.0 mt -72.41 -51.19 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.23 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -32.52 25.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.418 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -58.37 -84.44 0.04 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLY . 1.7 mm100 -33.92 -52.88 0.45 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.715 0.293 . . . . 0.0 110.524 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.692 ' O ' HG22 ' A' ' 22' ' ' VAL . 13.3 m -39.25 -72.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.813 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.425 HH21 HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -68.69 2.12 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.694 -179.39 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.14 -5.61 24.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -116.35 -22.15 8.94 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 120.872 0.368 . . . . 0.0 110.351 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 18' ' ' CYS . 2.4 m -117.37 -45.56 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.785 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG2' HG23 ' A' ' 22' ' ' VAL . 33.4 mmtt -109.66 -138.99 0.38 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.889 0.376 . . . . 0.0 110.713 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 3.0 t -142.59 -166.57 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.478 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.536 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -65.05 -38.88 92.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.118 0.485 . . . . 0.0 110.584 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.52 -45.15 53.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -73.68 -45.97 49.23 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.739 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -38.8 -46.72 1.31 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.502 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.37 -47.98 55.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.49 -30.5 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 37' ' ' THR . 8.8 t -64.7 -38.42 90.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.29 -36.76 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -79.03 -55.73 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 t -61.85 141.99 57.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.548 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -91.14 -46.75 7.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -52.13 -38.14 56.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.608 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.477 HG22 ' SG ' ' A' ' 31' ' ' CYS . 11.8 m -67.85 -48.17 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -23.77 66.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.652 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -81.83 -34.27 30.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.605 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -84.42 -30.03 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.491 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.6 t -65.53 -68.3 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.514 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' CD ' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -41.89 -40.86 2.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.449 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.432 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 8.9 t0 -55.85 -36.78 67.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.409 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' CYS . 3.5 mt -77.65 -52.04 9.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.338 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.533 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.2 mm? -56.19 -49.65 73.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.721 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -103.16 40.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 3' ' ' ASN . 0.8 OUTLIER -171.25 48.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.777 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 6' ' ' GLU . 1.7 ptpp? -129.17 -140.15 0.24 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.693 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.528 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 22.7 m -75.64 16.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.362 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -102.57 -10.35 19.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.59 -157.05 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.468 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -51.31 130.44 26.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.409 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.435 ' H ' HD12 ' A' ' 9' ' ' LEU . 1.3 mp -47.46 -18.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.698 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 8' ' ' SER . 40.9 mmt-85 -60.4 -48.79 80.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -59.04 -42.0 89.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -62.09 -47.06 86.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.709 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mt -63.36 -44.03 98.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.451 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.04 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.618 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -34.69 3.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.158 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.67 -78.0 0.15 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' LYS . 55.0 mm-40 -43.36 -47.16 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.498 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -41.96 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.484 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -54.99 -26.02 33.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.51 -7.24 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.464 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLN . 8.6 mmtp -101.8 -26.44 13.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.19 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.9 -55.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -89.09 -112.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.626 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 2.8 t -160.46 177.85 10.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.343 0.592 . . . . 0.0 110.696 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' N ' ' OG1' ' A' ' 24' ' ' THR . 6.0 p-10 -67.93 -14.21 62.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.477 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.02 -29.16 67.28 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.35 -32.97 17.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.694 0.283 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -40.79 -49.03 3.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.737 179.731 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -64.32 -46.63 82.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -37.45 82.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.5 p -69.59 -40.18 76.85 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.785 0.326 . . . . 0.0 110.654 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.583 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -60.0 -35.61 75.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.492 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.1 p -81.48 -34.35 31.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.667 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' CYS . 25.9 t -89.26 150.82 22.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.488 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -61.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 p -41.88 -67.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.4 m -45.31 -44.97 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -67.89 -30.24 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -67.65 -22.35 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -88.41 -30.85 19.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.598 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.59 -57.14 8.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -51.81 -38.69 56.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.07 -34.09 54.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.85 -53.07 6.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.524 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.1 mm? -55.06 -49.94 70.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.925 0.393 . . . . 0.0 110.758 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.669 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.09 113.0 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.655 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -157.19 64.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.491 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -90.59 -128.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.651 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 p -95.8 20.16 10.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.519 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -99.85 9.8 42.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -96.91 -68.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.596 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.33 145.54 43.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.526 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -61.76 -28.27 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.584 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -54.61 -31.71 57.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.509 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -71.26 -56.05 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -31.64 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.479 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.42 -56.69 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.31 -74.59 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.73 -34.87 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.537 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -57.0 -88.46 0.01 OUTLIER Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' GLY . 31.2 mt-30 -33.91 -45.71 0.2 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 110.628 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.631 ' O ' HG22 ' A' ' 22' ' ' VAL . 19.0 t -41.31 -77.74 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.522 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.562 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.6 mmp_? -68.35 3.61 1.66 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.012 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -103.52 -2.26 27.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.775 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.07 -24.38 5.57 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -110.67 -47.29 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -110.29 -124.11 0.27 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.483 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 t -155.72 -157.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.658 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.3 -45.79 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.714 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.79 -36.92 3.78 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.71 -43.52 18.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.605 0.24 . . . . 0.0 110.753 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.496 ' CZ ' ' SG ' ' A' ' 32' ' ' CYS . 42.0 t80 -43.01 -38.83 2.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.58 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 33' ' ' THR . 2.5 m-85 -54.05 -44.11 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.55 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.14 -36.86 75.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.622 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.69 -37.59 84.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.738 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.496 ' SG ' ' CZ ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -73.52 -36.58 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.769 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 29' ' ' TYR . 80.9 p -79.63 -57.82 3.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.735 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.03 123.67 23.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.708 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -39.16 27.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -56.77 -23.95 46.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.0 m -86.78 -33.59 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -63.06 -27.69 69.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.651 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -40.3 52.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -77.87 -15.37 59.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.613 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.37 -50.92 6.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.456 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.532 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.1 pt20 -56.67 -24.8 51.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -64.46 -29.42 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.35 -43.53 60.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.916 ' H ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -85.66 -54.91 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' GLN . 12.1 t-80 . . . . . 0 C--O 1.218 -0.575 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.57 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -105.23 18.69 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -89.43 57.56 4.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.509 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.569 ' C ' ' H ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -84.9 -179.04 7.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.509 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 11.6 p -68.16 33.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.569 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -118.62 0.92 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.348 179.752 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -25.06 46.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.557 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -150.56 159.51 44.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.544 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.05 -36.33 79.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.637 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -48.57 -59.12 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.89 -47.25 87.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -39.01 35.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 mt -72.55 -43.42 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.08 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.648 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.18 -36.74 52.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.235 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -54.46 -80.94 0.07 OUTLIER Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.7 mm-40 -37.29 -40.75 0.36 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.276 0.56 . . . . 0.0 110.658 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.579 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -54.84 -79.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.218 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.462 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 13.0 mmp_? -67.28 8.63 0.29 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.909 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' A' ' 18' ' ' CYS . 13.7 t70 -108.7 -10.33 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.339 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HG3' HG22 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.77 -15.87 13.72 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.377 179.443 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.3 OUTLIER -120.76 -47.31 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.358 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -108.13 -130.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 4.0 t -145.69 -171.02 3.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.602 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.488 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -68.61 -23.02 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.457 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.416 ' H ' HG23 ' A' ' 24' ' ' THR . . . -65.92 -31.69 80.36 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -36.8 20.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.619 0.247 . . . . 0.0 110.601 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -38.93 -32.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.658 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -55.66 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.6 -34.78 59.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' SG ' HG22 ' A' ' 37' ' ' THR . 36.3 t -71.97 -33.82 68.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.786 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 5' ' ' CYS . 1.8 t -64.76 -32.79 74.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.82 -51.38 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.374 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 t -53.63 128.73 30.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -81.4 -56.57 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.777 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -47.43 -22.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.481 HG22 ' SG ' ' A' ' 31' ' ' CYS . 5.3 m -80.62 -61.5 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.635 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.16 -27.85 48.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.649 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -77.42 -34.64 54.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -84.08 -36.67 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.648 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LEU . 20.5 m -67.1 -58.86 4.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.525 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.425 ' CD ' ' N ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -43.5 -40.6 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.341 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.425 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -66.74 -32.19 73.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.422 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.5 mt -78.79 -48.99 13.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.346 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.29 -47.9 80.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.715 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 3' ' ' ASN . 11.5 p-10 -149.47 -134.74 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.443 ' N ' ' CG ' ' A' ' 2' ' ' ASP . 3.3 t30 55.61 73.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.3 pttm -133.05 -116.29 0.21 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.7 m -77.49 18.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.62 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -130.53 4.26 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.554 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -79.96 -49.24 12.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.507 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.55 156.6 44.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.224 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -39.88 81.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.469 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -54.84 -47.89 73.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -57.19 -53.71 55.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -54.15 -43.33 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mt -66.87 -47.67 81.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.28 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -31.62 50.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.205 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.41 -86.39 0.03 OUTLIER Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' GLY . 3.5 mm-40 -37.91 -42.02 0.58 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.066 0.46 . . . . 0.0 110.075 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 19.0 t -49.87 -83.12 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.069 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.508 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.4 mmp_? -75.96 18.02 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.468 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 18' ' ' CYS . 11.0 t70 -114.01 -10.21 12.9 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.333 0.395 . . . . 0.0 110.257 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -112.2 -27.13 8.47 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.495 HG23 ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -106.13 -69.73 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.666 179.699 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' H ' HG23 ' A' ' 22' ' ' VAL . 34.6 mmtm -80.68 -133.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 10.0 t -144.38 -158.82 0.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.024 0.44 . . . . 0.0 110.827 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.467 ' N ' ' OG1' ' A' ' 24' ' ' THR . 3.8 m-20 -69.83 -42.32 73.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.3 -45.44 21.6 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -69.55 -45.5 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.744 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CZ ' ' SG ' ' A' ' 32' ' ' CYS . 47.7 t80 -48.31 -43.33 32.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.511 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -45.75 75.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.292 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -38.78 81.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.702 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 2.7 p -72.8 -44.11 61.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.794 0.33 . . . . 0.0 110.664 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.613 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 29.6 m -51.09 -36.95 42.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.419 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.5 p -81.84 -46.15 14.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 31' ' ' CYS . 9.3 p -74.35 146.6 42.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -56.11 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.655 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -46.95 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.775 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -63.55 -55.41 24.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.399 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.84 -25.39 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.611 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -83.08 -32.84 26.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -83.44 -17.05 43.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -84.33 -54.1 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.088 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' HIS . 20.0 pt20 -52.01 -27.55 13.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.427 . . . . 0.0 110.511 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -30.17 70.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.636 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -75.68 -42.16 51.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.82 ' H ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -89.21 -68.73 0.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 7.0 p80 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.564 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -130.4 -136.5 0.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -158.36 77.12 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.63 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -118.44 -110.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.479 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 3.22 5.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.25 11.84 20.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -82.42 -81.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.5 m -142.3 167.68 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.714 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.583 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -61.09 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.549 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -47.55 -47.13 28.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.639 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -63.28 -45.61 90.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.595 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.3 -42.18 90.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.06 -46.07 82.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.94 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -49.43 -33.26 13.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.344 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.53 -83.45 0.05 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' GLY . 7.1 mt-30 -34.73 -47.28 0.33 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.952 0.406 . . . . 0.0 110.461 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.582 ' SG ' HD23 ' A' ' 45' ' ' LEU . 4.9 m -44.92 -66.06 0.45 Allowed 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.565 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 5.86 8.09 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.982 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.2 -7.23 21.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -115.36 -0.63 13.1 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.278 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.66 -53.45 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.26 179.603 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -96.55 -137.67 0.26 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.749 0.309 . . . . 0.0 110.543 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 9.5 t -142.85 -165.06 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.9 OUTLIER -66.67 -53.9 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.07 -23.52 3.89 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.75 -50.74 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.717 0.294 . . . . 0.0 110.49 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -34.68 8.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.402 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.07 -42.79 66.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' SER . 4.1 mp0 -72.32 -37.04 69.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.582 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 21.0 t -57.05 -34.3 68.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -41.47 29.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.0 p -79.92 -15.17 57.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' GLU . 97.0 p -101.03 133.15 45.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -83.5 -59.49 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.1 -36.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.662 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -71.64 -55.8 7.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.684 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -46.57 -37.33 7.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.721 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -33.13 71.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.674 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -81.88 -30.25 32.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' LEU . 11.6 t -69.0 -63.69 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -40.5 -39.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.378 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -61.48 -36.87 81.68 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.476 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' CYS . 6.0 mt -72.57 -51.71 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.258 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.582 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.7 mm? -60.9 -51.85 67.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.598 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.505 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.99 88.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.534 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.505 ' O ' ' ND2' ' A' ' 3' ' ' ASN . 0.4 OUTLIER -166.95 86.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.569 -179.768 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -116.18 -137.87 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -74.81 2.64 9.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.603 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -102.99 0.76 32.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -80.29 -60.6 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.93 154.61 35.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.34 -33.47 72.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.431 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -58.33 -46.89 85.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -65.26 -40.9 94.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.583 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -60.35 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.713 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.2 mt -61.17 -49.59 84.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.256 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.68 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.57 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -37.13 46.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.613 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.5 -86.86 0.01 OUTLIER Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -42.13 -45.89 4.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.734 0.302 . . . . 0.0 110.527 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 48.8 t -43.21 -42.15 4.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -106.35 -3.74 20.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.869 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.87 -5.58 41.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.339 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -110.75 -10.12 14.47 Favored 'General case' 0 C--O 1.228 -0.05 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.537 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -129.45 -43.44 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.533 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -110.02 -140.97 0.38 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.591 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 26' ' ' GLY . 14.8 t -133.2 -160.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.52 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -46.79 68.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.71 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.401 ' H ' HG23 ' A' ' 24' ' ' THR . . . -48.06 -45.52 26.57 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -65.49 -46.81 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.591 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -50.87 -40.3 56.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.602 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -44.6 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.681 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.29 -48.57 62.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 9.8 p -69.0 -43.54 74.64 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.73 0.3 . . . . 0.0 110.667 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.605 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -50.08 -37.67 34.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.498 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.4 p -80.42 -44.37 19.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.452 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 31' ' ' CYS . 74.8 m -74.72 150.8 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.69 -60.89 1.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 39' ' ' LYS . 8.9 t -41.06 -64.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -42.1 -58.09 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.501 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 3.7 t80 -52.9 -31.14 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' SER . 29.4 tttt -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -89.62 -41.25 12.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.31 -53.32 56.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 8.7 pt20 -48.54 -40.34 26.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 42' ' ' GLN . 3.4 t0 -56.82 -27.54 60.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.441 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -81.0 -58.07 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.695 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.6 mm? -73.76 -59.36 2.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.716 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' GLN . 1.6 t-80 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.498 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -160.02 39.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.494 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -167.13 104.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.515 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 6' ' ' GLU . 12.2 pttt -147.82 -103.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.421 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.7 m -65.44 4.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.657 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 4' ' ' LYS . 5.4 pt-20 -110.36 13.59 22.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.651 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -79.97 -89.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.04 161.62 36.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.745 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -63.19 -37.24 86.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.497 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -53.15 -66.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.07 0.462 . . . . 0.0 110.656 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.628 ' H ' ' CD ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -49.89 -44.75 50.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.591 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.25 -54.62 44.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.7 mt -56.68 -39.31 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.368 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.89 -70.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.667 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -27.17 68.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.716 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.39 -72.34 0.66 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -55.43 -35.34 65.3 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.217 0.532 . . . . 0.0 110.519 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.8 t -52.68 -80.34 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.258 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -54.25 -27.98 38.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.344 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -75.61 -11.24 59.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -98.37 -28.95 13.41 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.345 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.91 -62.82 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.752 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -84.68 -124.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.709 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 7.9 t -148.37 -168.29 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.459 . . . . 0.0 110.621 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.457 ' N ' ' OG1' ' A' ' 24' ' ' THR . 4.2 m-20 -66.47 -40.05 89.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.589 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.66 -41.02 56.63 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -68.87 -44.75 72.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.771 0.32 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -49.49 22.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.395 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.12 -48.55 81.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.483 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.7 mt-10 -51.38 -39.25 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.309 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.571 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -68.32 -58.27 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.436 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.571 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.98 -34.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.438 . . . . 0.0 110.677 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 71.8 p -80.01 -45.13 18.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.471 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.2 t -84.56 149.69 25.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.13 0.491 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -91.09 -59.91 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.9 m -40.22 -58.94 1.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -46.73 -56.12 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.637 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.534 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -54.14 -27.83 36.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.462 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -71.32 -21.21 62.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.771 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -89.33 -34.27 16.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -75.83 -39.2 57.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 9.2 pt20 -54.47 -33.91 60.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.168 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.46 -29.21 65.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.95 -53.03 29.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.357 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 45' ' ' LEU . 4.6 mm? -76.89 -47.34 21.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.673 179.729 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -108.55 -141.19 0.38 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -103.76 75.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.558 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -115.99 -126.87 0.29 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.649 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.99 13.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.61 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.69 -2.03 14.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -80.16 -67.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.49 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.48 160.9 42.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -36.13 80.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.487 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -53.17 -43.98 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HG2' ' H ' ' A' ' 11' ' ' ARG . 8.9 mmt180 -69.62 -39.31 77.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.91 -41.97 99.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -74.34 -41.42 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.71 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.501 . . . . 0.0 110.608 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -32.26 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.51 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.08 -85.38 0.04 OUTLIER Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.491 ' HB2' HD21 ' A' ' 45' ' ' LEU . 3.0 mm-40 -35.23 -47.33 0.4 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 110.728 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.627 ' O ' HG22 ' A' ' 22' ' ' VAL . 47.2 t -42.11 -72.22 0.07 Allowed 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.688 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.598 ' NE ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -70.24 0.42 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.679 0.276 . . . . 0.0 110.815 -178.809 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.66 -10.74 24.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HG2' HG22 ' A' ' 22' ' ' VAL . 10.1 ptmt -111.51 -25.0 9.82 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.508 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.3 OUTLIER -110.91 -52.22 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.256 179.799 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' NZ ' ' CE2' ' A' ' 27' ' ' TYR . 21.8 mmtp -100.06 -124.61 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.703 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.51 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.8 t -153.4 -175.4 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.559 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.51 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.2 OUTLIER -66.46 -14.61 62.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.465 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.37 -53.92 7.22 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CE2' ' NZ ' ' A' ' 23' ' ' LYS . 4.2 m-85 -64.4 -35.09 79.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.432 . . . . 0.0 110.574 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -29.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -60.24 -51.64 68.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.493 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -62.44 -27.32 69.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.14 -37.25 75.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.469 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -37.21 60.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.498 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.7 p -80.89 -61.01 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.624 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.7 137.23 58.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -89.78 -44.63 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -56.67 -22.33 33.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m -84.36 -42.48 15.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -55.29 -46.95 76.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 3.4 tttp -63.36 -26.02 68.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.32 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.82 -13.76 33.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.044 0.45 . . . . 0.0 110.729 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.499 ' SG ' ' CZ ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -97.1 -22.47 16.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -30.94 56.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.4 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.37 -40.57 91.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.256 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 44' ' ' LEU . 3.7 mm? -63.71 -52.8 58.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 17' ' ' GLN . 1.3 mm? -61.48 -50.0 74.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.67 179.686 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.79 86.27 6.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.608 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -136.21 91.71 2.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -125.45 -150.7 0.45 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.737 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 0.83 3.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -92.39 3.75 54.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.777 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -80.32 -77.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.83 171.84 13.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.36 -38.39 78.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.646 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -42.89 73.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.602 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 11' ' ' ARG . 13.2 mmt85 -67.53 -49.41 63.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.589 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -53.89 -43.72 69.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.13 -44.81 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.56 -76.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.691 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -34.08 14.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.141 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -60.86 -82.57 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' GLY . 62.9 mm-40 -38.55 -35.96 0.22 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.687 0.28 . . . . 0.0 110.739 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.483 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 44.5 t -58.32 -49.26 77.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.336 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HE ' ' C ' ' A' ' 18' ' ' CYS . 2.7 mmp_? -107.13 7.2 29.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.662 0.268 . . . . 0.0 110.722 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' GLY . 3.1 t70 -103.34 -10.93 18.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.107 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 -3.72 18.31 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.492 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -132.71 -61.93 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.279 -179.511 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -90.91 -144.58 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.7 t -126.66 -172.24 2.59 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.644 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.542 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.2 OUTLIER -60.94 -41.8 96.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.456 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.99 -47.59 32.0 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -64.15 -44.95 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.744 0.307 . . . . 0.0 110.618 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -56.04 -41.13 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.003 0.43 . . . . 0.0 110.267 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' N ' ' CD2' ' A' ' 28' ' ' PHE . 15.2 t80 -63.95 -42.33 97.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.379 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.8 -44.23 86.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.597 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.567 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 6.5 p -71.52 -40.92 69.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 120.738 0.304 . . . . 0.0 110.77 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.567 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -54.16 -38.17 65.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.569 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.2 p -81.77 -43.57 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.607 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' CYS . 25.4 t -76.6 148.09 37.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.451 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -89.91 -62.58 1.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.88 -58.58 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -50.29 -49.91 52.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.646 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.31 -23.93 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.49 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -72.06 -24.83 61.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.647 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.2 -32.46 22.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.637 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.9 m -70.61 -55.95 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.586 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -49.98 -35.47 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.38 -33.09 74.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.469 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.01 -48.87 56.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.277 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.77 -56.64 5.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.492 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.181 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' CG ' ' H ' ' A' ' 3' ' ' ASN . 20.2 t70 -103.45 -132.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.4 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 8.7 p-10 -164.55 105.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.585 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.489 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -157.93 -120.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.601 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.489 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -71.33 0.38 8.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.592 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -122.15 16.92 10.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.423 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -89.0 -74.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.364 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -135.42 154.81 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.511 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -58.69 -35.28 72.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.49 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -60.98 -51.1 70.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.489 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -53.1 -42.96 66.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -65.88 -48.88 70.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.67 -38.34 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.82 -70.12 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.657 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.87 -28.43 56.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.479 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -60.55 -82.27 0.07 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLY . 4.9 mt-30 -38.71 -44.81 1.04 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.688 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.683 ' O ' HG22 ' A' ' 22' ' ' VAL . 27.1 t -45.48 -73.02 0.05 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.482 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.586 ' NE ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -63.05 -2.61 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.814 0.34 . . . . 0.0 110.332 -179.339 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.9 OUTLIER -100.39 -9.64 22.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -113.23 -15.17 12.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.372 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 18' ' ' CYS . 2.4 m -124.42 -41.15 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.49 ' HG2' HG23 ' A' ' 22' ' ' VAL . 23.4 mmtp -110.58 -124.35 0.27 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.71 HG23 ' H ' ' A' ' 26' ' ' GLY . 9.8 t -147.77 168.13 22.93 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -60.18 -10.13 4.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.71 ' H ' HG23 ' A' ' 24' ' ' THR . . . -77.7 -55.05 4.33 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.8 -29.7 70.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.727 0.299 . . . . 0.0 110.532 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.513 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -43.42 -33.17 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -73.84 -47.11 40.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.1 -33.73 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.579 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.7 p -71.53 -42.32 68.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.743 0.306 . . . . 0.0 110.685 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.609 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -58.53 -33.35 69.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.346 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -81.9 -51.17 8.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.532 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -72.55 146.85 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.54 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -63.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.81 -46.59 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.69 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.7 m -63.15 -39.74 95.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.665 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -69.98 -31.47 69.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -68.66 -27.48 66.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -82.67 -22.93 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.723 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.529 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 1.3 m -75.4 -62.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -35.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.419 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.0 -35.76 69.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.46 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' CYS . 22.4 mt -72.82 -52.94 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.252 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' A' ' 45' ' ' LEU . 2.1 mm? -58.44 -50.97 71.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.772 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.3 t60 . . . . . 0 C--O 1.218 -0.571 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.62 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -140.74 -133.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.537 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 m120 53.68 98.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.482 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -132.66 -101.39 0.27 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.26 23.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.453 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -129.02 2.4 5.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.436 ' CG ' ' H ' ' A' ' 8' ' ' SER . 14.5 p30 -82.27 -109.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.436 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -100.56 131.88 46.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.566 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -49.55 -33.58 15.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.607 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -53.62 -33.14 54.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.501 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' N ' ' HE ' ' A' ' 11' ' ' ARG . 4.2 mmp_? -68.23 -60.43 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -51.08 -38.0 49.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.712 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.85 -45.47 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.25 -71.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.756 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -25.94 55.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.356 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.04 -81.1 0.08 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -43.6 -39.51 3.56 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.947 0.403 . . . . 0.0 110.366 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.453 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 41.2 t -51.46 -59.74 3.91 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.533 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.504 ' CD ' ' SG ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -79.64 4.23 16.67 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.748 -179.495 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.98 -11.47 19.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -108.15 -2.19 19.66 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.216 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.32 -54.69 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.33 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -95.6 -138.47 0.24 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.614 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.525 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.9 t -137.71 -173.55 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.525 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -62.9 -43.77 97.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.49 -37.39 60.36 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.08 -42.13 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.601 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -50.35 -47.43 56.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -63.74 -49.49 72.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.455 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -39.74 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.243 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -69.76 -53.44 18.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.58 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.78 -32.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.2 p -87.1 -45.56 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.47 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.48 ' O ' ' O ' ' A' ' 31' ' ' CYS . 2.8 m -84.71 135.03 34.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 0.0 110.8 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 37' ' ' THR . 38.9 t70 -88.41 -44.04 11.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.819 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -59.24 -4.65 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.753 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 35' ' ' ASP . 13.3 m -104.14 -38.64 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.513 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 9.8 t80 -70.27 -11.99 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.463 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -81.16 -23.2 38.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -89.98 -24.92 21.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.533 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' SG ' ' CD ' ' A' ' 19' ' ' ARG . 1.2 m -78.07 -60.09 2.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -47.68 -29.2 2.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.287 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.0 -32.59 73.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mt -81.67 -51.55 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.16 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -48.44 70.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.632 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.9 m80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.601 179.869 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -104.78 56.2 0.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.642 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -122.84 85.84 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.588 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -130.1 -110.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.502 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 m -73.06 4.87 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.617 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.03 5.66 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.51 -68.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.491 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.52 145.72 49.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.481 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.32 -31.04 63.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.441 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -61.72 -46.16 90.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -61.01 -43.68 98.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -45.66 82.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.65 -40.08 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.938 0.399 . . . . 0.0 110.049 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.482 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . -54.12 -67.38 0.27 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.683 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' O ' ' A' ' 28' ' ' PHE . 3.1 t -57.85 -35.62 71.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.286 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.87 -81.79 0.05 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HB2' HD21 ' A' ' 45' ' ' LEU . 5.3 mm-40 -40.85 -47.67 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.126 0.488 . . . . 0.0 110.474 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.591 ' SG ' HD23 ' A' ' 45' ' ' LEU . 64.0 m -47.58 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.628 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HE ' ' N ' ' A' ' 19' ' ' ARG . 1.4 mmp_? -60.09 -1.18 0.28 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.197 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 18' ' ' CYS . 17.0 t70 -96.89 -12.24 23.72 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.467 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -107.44 -33.49 7.34 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.354 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -70.86 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.65 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -80.54 -147.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.725 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.71 HG23 ' H ' ' A' ' 26' ' ' GLY . 9.7 t -111.25 172.28 6.98 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.554 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -73.47 7.09 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.71 ' H ' HG23 ' A' ' 24' ' ' THR . . . -100.15 -16.21 28.4 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -90.65 -16.28 28.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.585 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 1.6 p90 -52.33 -38.32 58.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -73.19 -33.99 65.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.848 0.356 . . . . 0.0 110.766 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' CD ' ' CE1' ' A' ' 27' ' ' TYR . 1.9 mt-10 -57.85 -46.66 84.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -74.24 -43.77 55.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.425 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.557 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -45.61 -35.95 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.408 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 29' ' ' TYR . 67.5 p -82.33 -49.26 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.265 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -71.86 145.94 48.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -85.53 -59.22 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.65 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.1 t -44.06 -64.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.677 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 m -47.09 -48.41 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -62.47 -33.31 74.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.621 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -33.88 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.592 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -77.94 -32.21 51.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 14' ' ' ALA . 4.0 t -68.47 -65.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.703 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.06 -33.72 1.54 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.474 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -33.85 75.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.278 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' CYS . 3.5 mt -73.16 -49.87 25.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.224 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.591 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.4 mm? -64.46 -52.24 58.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.635 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.507 -179.876 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' A' ' 6' ' ' GLU . 54.1 pttt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.733 0.301 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 18.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.656 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -91.87 -16.78 26.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.54 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.476 ' CG ' ' H ' ' A' ' 8' ' ' SER . 61.3 t30 -81.35 -125.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.506 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.476 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 0.5 OUTLIER -88.85 134.8 33.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.377 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.498 ' H ' HD12 ' A' ' 9' ' ' LEU . 1.3 mp -58.5 -5.07 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.676 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 8' ' ' SER . 3.4 ptt180 -57.77 -36.52 72.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.519 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -88.66 -27.95 20.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.732 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.7 -36.32 80.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mt -64.5 -45.38 95.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.234 0.54 . . . . 0.0 109.827 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.72 -70.73 0.09 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.459 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 28' ' ' PHE . 44.2 t -41.72 -42.05 2.46 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.961 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.32 -83.95 0.04 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -43.17 -38.49 2.49 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.469 0.652 . . . . 0.0 110.219 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.609 ' O ' HG22 ' A' ' 22' ' ' VAL . 23.9 t -55.31 -83.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.358 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.9 mmp_? -63.13 5.39 0.15 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.592 0.234 . . . . 0.0 111.452 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 18' ' ' CYS . 22.8 t70 -105.38 -12.14 16.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -111.65 -21.97 11.43 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.291 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -110.24 -41.87 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -111.36 -124.69 0.27 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.869 HG23 ' H ' ' A' ' 26' ' ' GLY . 10.9 t -146.31 179.91 7.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.467 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -72.93 11.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.869 ' H ' HG23 ' A' ' 24' ' ' THR . . . -107.97 -7.71 30.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.431 ' C ' ' N ' ' A' ' 29' ' ' TYR . 1.6 m-85 -103.94 -23.83 13.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 120.632 0.253 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.546 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -48.28 -16.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 0.0 110.517 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 33' ' ' THR . 1.8 t80 -72.83 -27.5 61.99 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.605 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.75 -53.64 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -73.05 -52.98 12.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.699 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.6 -26.01 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.621 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 29' ' ' TYR . 63.6 p -98.27 -47.38 5.47 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -99.64 137.11 38.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -85.51 -40.91 15.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -48.36 -39.55 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' LYS . 98.5 m -70.33 -48.22 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.736 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -38.12 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.605 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -25.22 67.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' THR . 14.9 tttt -86.61 -26.51 24.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.29 -49.67 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.634 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -56.71 -33.19 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.346 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -58.62 -33.25 69.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.364 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.0 -49.7 9.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -57.2 -48.5 78.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.395 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.353 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 pttp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.798 0.332 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -7.93 35.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.68 6.12 43.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.541 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -82.1 -63.81 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.67 156.63 41.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -61.63 -35.37 77.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -54.14 -47.76 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -64.75 -40.12 94.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.05 -38.54 91.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mt -74.44 -44.9 47.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.398 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.36 -74.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.701 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -36.4 63.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.477 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.56 -86.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.61 -39.53 1.08 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.898 0.38 . . . . 0.0 110.591 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.438 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.8 t -43.82 -50.16 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -103.85 8.37 37.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -6.02 19.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.398 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -111.42 -17.94 12.99 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.402 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -120.98 -44.26 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.302 -179.156 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -113.03 -136.99 0.37 Allowed 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.514 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.8 t -142.41 -174.13 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.514 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.5 OUTLIER -57.3 -46.15 83.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 179.626 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -42.35 -28.87 0.61 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -89.09 -42.86 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.633 0.254 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -42.09 -41.7 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.461 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -51.23 -49.63 60.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.12 -33.95 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -63.23 -38.7 92.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.596 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -37.37 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.5 p -79.43 -58.16 3.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.46 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 t -53.86 135.43 42.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.606 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.13 -47.01 9.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 t -55.09 -33.9 63.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.468 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' CYS . 1.8 m -70.41 -53.0 18.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -56.22 -39.83 73.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -73.04 -28.83 62.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -91.21 -11.27 38.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' THR . 14.3 m -94.45 -39.37 10.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -58.48 -33.48 69.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -22.39 61.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.471 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.93 -48.14 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.404 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 45' ' ' LEU . 4.6 mm? -80.85 -46.16 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.8 t60 . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.592 179.872 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.1 mmtp . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.796 0.332 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.49 15.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' A' ' 4' ' ' LYS . 1.3 pt-20 -130.53 17.5 5.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.596 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -78.94 -74.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.513 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -140.49 161.77 36.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 9' ' ' LEU . 4.3 mm? -62.98 -36.6 84.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -58.07 -42.18 84.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -65.42 -43.67 89.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.627 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.32 -44.52 97.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.2 mt -65.08 -42.75 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.422 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.89 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.424 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.68 -36.63 16.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.367 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -54.58 -82.88 0.05 OUTLIER Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLY . 45.7 mm-40 -38.64 -50.7 1.63 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.793 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 7.7 t -41.99 -68.06 0.22 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.473 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 2.3 mmp_? -66.98 -5.9 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -92.81 -7.11 47.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.46 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -108.59 -34.05 6.85 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.364 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -63.34 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.539 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -85.15 -125.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.714 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 t -144.17 167.04 23.35 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -58.84 -13.74 7.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.413 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.47 -43.55 10.29 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -62.44 -31.19 71.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.761 0.315 . . . . 0.0 110.392 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.442 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.3 -34.05 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.632 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -73.89 -44.07 56.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.4 mm-40 -58.46 -40.73 83.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 2.2 p -66.55 -45.02 80.76 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.636 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -54.44 -35.0 62.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.224 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.4 p -83.06 -51.32 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.4 m -76.28 141.35 41.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.634 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.07 -47.25 7.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -32.88 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.1 m -81.61 -58.47 3.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -48.24 -26.87 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -70.22 -30.15 67.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.516 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -82.71 -30.1 29.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.437 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' LEU . 21.8 m -68.57 -69.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.601 HE21 ' C ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -45.28 -31.63 1.64 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.41 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.7 -33.57 76.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.146 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.8 mt -81.05 -44.99 17.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.139 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.5 mm? -62.64 -56.88 13.67 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.965 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.608 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.511 ' C ' ' H ' ' A' ' 6' ' ' GLU . 4.7 mtpt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.699 0.285 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.4 9.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.668 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 4' ' ' LYS . 11.0 pt-20 -105.58 -0.2 25.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.543 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.633 ' N ' HH12 ' A' ' 11' ' ' ARG . 0.9 OUTLIER -89.74 -158.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.57 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -59.39 -178.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 9' ' ' LEU . 7.3 mp -86.95 -22.11 25.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.622 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -49.59 -45.51 47.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 110.648 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.633 HH12 ' N ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -67.4 -42.07 83.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.572 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.42 -35.9 70.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.6 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.5 mt -68.61 -44.07 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -74.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.455 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -27.46 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.169 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.32 -77.54 0.28 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.81 -33.44 0.08 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.079 0.466 . . . . 0.0 110.455 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.589 ' SG ' HD23 ' A' ' 45' ' ' LEU . 1.8 m -61.22 -79.48 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.782 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.432 ' CA ' ' HE ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -77.9 17.83 0.54 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.62 0.248 . . . . 0.0 111.182 -179.451 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -112.18 -1.35 15.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.079 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.665 ' HG3' HG22 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -121.55 -2.56 9.41 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.096 0.474 . . . . 0.0 110.721 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.665 HG22 ' HG3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -134.74 -66.81 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.694 -178.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -82.15 -133.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.669 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 5.7 t -140.76 -169.22 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.642 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.469 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.9 OUTLIER -62.25 -39.82 94.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.751 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -50.34 -54.68 19.1 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -58.91 -44.08 91.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 110.719 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.52 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -51.56 -41.85 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.566 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -67.39 -41.74 84.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.055 0.455 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.81 -42.05 88.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.557 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.7 p -65.0 -45.23 86.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.768 0.318 . . . . 0.0 110.706 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.642 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.25 -37.19 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.6 p -79.68 -43.11 23.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.706 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 31' ' ' CYS . 40.1 t -78.59 142.21 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.477 ' C ' ' H ' ' A' ' 37' ' ' THR . 1.4 m-20 -90.34 -56.79 3.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.644 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -50.89 -9.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.477 ' H ' ' C ' ' A' ' 35' ' ' ASP . 12.0 m -99.14 -47.25 5.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.69 -37.83 82.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -19.57 62.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -87.38 -20.8 26.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.4 t -77.44 -63.45 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.42 -35.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.31 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.13 -32.15 70.74 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' CYS . 6.4 mt -84.79 -52.84 5.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.269 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.589 HD23 ' SG ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -52.5 -45.86 66.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.885 0.374 . . . . 0.0 110.687 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.1 t60 . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.572 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.778 0.323 . . . . 0.0 110.741 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.507 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.7 m -92.06 11.95 23.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.15 10.39 40.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.738 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.35 -62.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.554 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.3 m -141.79 147.09 36.72 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.187 0.517 . . . . 0.0 110.751 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 9' ' ' LEU . 8.9 mp -64.56 -25.45 67.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.455 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -55.83 -64.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.755 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -58.53 -33.73 70.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -64.17 -50.14 69.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.617 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.14 -44.45 98.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.216 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.22 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -29.31 24.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.467 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.47 -86.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.74 -38.25 21.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 48.6 t -42.19 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.503 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.8 mmp_? -57.39 -21.17 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.034 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.42 -10.32 59.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -101.71 -27.14 13.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.393 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -70.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.044 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -78.2 -145.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.499 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.6 t -127.29 -177.96 4.26 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -35.02 74.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.77 -39.19 54.88 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -43.26 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.749 0.309 . . . . 0.0 110.454 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.516 ' CE1' ' SG ' ' A' ' 32' ' ' CYS . 3.6 t80 -47.83 -42.66 26.85 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.703 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -70.31 -47.55 60.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.476 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -41.02 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.376 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -67.48 -55.08 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.449 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.516 ' SG ' ' CE1' ' A' ' 28' ' ' PHE . 15.5 m -39.25 -36.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.47 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.4 p -83.19 -46.08 13.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.4 m -91.31 122.76 34.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.769 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.02 -31.04 39.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -62.32 -5.25 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.0 m -101.35 -46.0 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -28.2 65.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -22.58 65.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -90.12 -43.95 10.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.656 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' CZ ' ' A' ' 19' ' ' ARG . 1.4 m -62.78 -54.6 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -53.54 -27.58 26.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.325 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -20.5 63.83 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.261 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 44' ' ' LEU . 4.4 tp -92.98 -54.53 3.7 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.1 mm? -54.04 -46.66 71.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.639 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.505 179.745 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 6' ' ' GLU . 17.8 pttp . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.646 0.26 . . . . 0.0 110.565 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 16.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 0.0 110.526 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 4' ' ' LYS . 15.3 pt-20 -99.97 -9.19 23.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.537 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.547 HD22 ' N ' ' A' ' 7' ' ' ASN . 1.4 m120 -81.3 -115.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.703 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.61 142.11 33.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.476 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.0 mt -56.03 -31.14 62.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -54.22 -36.02 63.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.568 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -65.39 -46.47 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.554 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -34.14 77.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.541 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.8 mt -71.66 -45.54 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 110.17 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . -54.58 -73.79 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.687 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.65 20.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.171 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.85 -77.93 0.21 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -38.99 -36.84 0.31 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.241 0.544 . . . . 0.0 110.209 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.676 ' SG ' HD23 ' A' ' 45' ' ' LEU . 11.3 m -59.61 -80.76 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.028 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -62.75 7.07 0.08 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.325 -178.674 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 18' ' ' CYS . 4.7 t70 -106.33 -17.75 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.679 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -106.57 -18.35 13.99 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.188 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.15 -51.27 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.335 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -100.21 -126.58 0.18 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.771 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.5 t -152.34 178.61 9.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.557 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' OG1' ' A' ' 24' ' ' THR . 6.5 p-10 -67.67 -6.06 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.521 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.458 ' H ' HG23 ' A' ' 24' ' ' THR . . . -88.08 -20.76 48.45 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -98.95 -25.42 14.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.412 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.85 -31.34 49.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.379 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -43.76 75.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.457 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.52 -39.47 80.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 5.9 p -73.69 -42.21 61.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 120.861 0.362 . . . . 0.0 110.7 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.59 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -55.43 -31.9 62.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.503 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.0 p -83.4 -48.46 10.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.655 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -73.96 147.77 42.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.68 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -90.09 -60.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.01 -34.47 0.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -72.8 -56.64 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.454 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 4.0 t80 -50.6 -38.31 45.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -25.83 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.507 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -83.15 -28.3 29.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' LEU . 12.8 t -70.37 -66.3 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.587 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 1.3 pt20 -41.58 -34.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.25 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -36.81 85.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.386 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' CYS . 2.8 mt -76.24 -53.71 7.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.417 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.676 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.1 mm? -53.46 -48.29 68.98 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.372 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 6' ' ' GLU . 2.0 mtmt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 11.3 m -65.71 2.5 0.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.66 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 4' ' ' LYS . 1.9 pt-20 -106.63 2.77 26.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -78.93 -82.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.85 170.69 15.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.53 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -34.86 76.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -59.04 -43.06 91.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.285 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -64.43 -47.71 78.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.327 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -55.98 -45.37 78.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.598 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.88 -43.24 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.352 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.12 -69.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.51 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -33.21 68.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.569 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.21 -80.02 0.09 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -46.92 -39.4 12.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.666 0.269 . . . . 0.0 110.69 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 45.4 t -49.7 -45.08 48.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.742 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -10.27 30.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.585 0.231 . . . . 0.0 110.683 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.82 -1.83 58.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.705 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -115.4 -4.65 12.32 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.803 0.335 . . . . 0.0 110.186 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.3 -47.35 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -102.31 -138.86 0.35 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 8.7 t -135.81 -165.03 1.64 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.467 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.6 OUTLIER -70.35 -40.42 74.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.23 87.91 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -67.26 -45.2 77.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.527 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -49.66 -37.69 29.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -71.48 -43.3 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.468 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.1 -42.01 79.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 6.3 p -68.57 -42.02 78.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.702 0.286 . . . . 0.0 110.764 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.591 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -53.92 -35.64 61.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.359 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 p -79.62 -49.66 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.75 150.1 44.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -90.08 -62.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -44.47 -51.87 8.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.647 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.9 m -55.57 -50.73 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.5 -35.63 78.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -25.59 67.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.39 -22.93 26.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.527 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -83.97 -46.14 12.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.637 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -57.05 -24.91 57.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.393 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 31.5 t0 -76.04 -24.68 55.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.46 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.48 -52.14 10.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.516 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.9 mm? -78.69 -37.9 40.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.473 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.2 m80 . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.5 179.731 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 6' ' ' GLU . 40.2 mmtt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.758 0.313 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 18.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.3 pt-20 -136.34 16.39 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.521 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -83.33 -82.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.68 158.47 43.62 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.054 0.454 . . . . 0.0 110.455 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.67 -24.49 8.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.356 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.474 ' CG ' ' N ' ' A' ' 11' ' ' ARG . 7.8 ptp180 -55.31 -43.18 74.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 10' ' ' ARG . 25.1 mtp180 -75.44 -42.7 52.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.484 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -40.8 84.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.765 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.0 mt -72.41 -51.19 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.23 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -32.52 25.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.418 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -58.37 -84.44 0.04 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLY . 1.7 mm100 -33.92 -52.88 0.45 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.715 0.293 . . . . 0.0 110.524 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.692 ' O ' HG22 ' A' ' 22' ' ' VAL . 13.3 m -39.25 -72.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.813 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.425 HH21 HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -68.69 2.12 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.694 -179.39 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.14 -5.61 24.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -116.35 -22.15 8.94 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 120.872 0.368 . . . . 0.0 110.351 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 18' ' ' CYS . 2.4 m -117.37 -45.56 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.785 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG2' HG23 ' A' ' 22' ' ' VAL . 33.4 mmtt -109.66 -138.99 0.38 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.889 0.376 . . . . 0.0 110.713 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 3.0 t -142.59 -166.57 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.478 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.536 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -65.05 -38.88 92.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.118 0.485 . . . . 0.0 110.584 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.52 -45.15 53.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -73.68 -45.97 49.23 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.739 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -38.8 -46.72 1.31 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.502 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.37 -47.98 55.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.49 -30.5 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 37' ' ' THR . 8.8 t -64.7 -38.42 90.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.29 -36.76 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -79.03 -55.73 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 t -61.85 141.99 57.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.548 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -91.14 -46.75 7.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -52.13 -38.14 56.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.608 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.477 HG22 ' SG ' ' A' ' 31' ' ' CYS . 11.8 m -67.85 -48.17 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -23.77 66.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.652 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -81.83 -34.27 30.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.605 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -84.42 -30.03 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.491 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.6 t -65.53 -68.3 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.514 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' CD ' ' N ' ' A' ' 43' ' ' ASP . 5.1 pp0? -41.89 -40.86 2.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.449 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.432 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 8.9 t0 -55.85 -36.78 67.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.409 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' CYS . 3.5 mt -77.65 -52.04 9.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.338 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.533 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.2 mm? -56.19 -49.65 73.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.721 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 6' ' ' GLU . 1.7 ptpp? . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.728 0.299 . . . . 0.0 110.693 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.528 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 22.7 m -75.64 16.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.362 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -102.57 -10.35 19.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.59 -157.05 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.468 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -51.31 130.44 26.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.409 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.435 ' H ' HD12 ' A' ' 9' ' ' LEU . 1.3 mp -47.46 -18.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.698 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 8' ' ' SER . 40.9 mmt-85 -60.4 -48.79 80.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -59.04 -42.0 89.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -62.09 -47.06 86.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.709 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mt -63.36 -44.03 98.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.451 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.04 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.618 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -34.69 3.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.158 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.67 -78.0 0.15 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' LYS . 13.6 mm100 -43.36 -47.16 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.498 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -41.96 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.484 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -54.99 -26.02 33.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.51 -7.24 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.464 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLN . 8.6 mmtp -101.8 -26.44 13.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.19 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.9 -55.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -89.09 -112.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.626 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 2.8 t -160.46 177.85 10.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.343 0.592 . . . . 0.0 110.696 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' N ' ' OG1' ' A' ' 24' ' ' THR . 6.0 p-10 -67.93 -14.21 62.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.477 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.02 -29.16 67.28 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.35 -32.97 17.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.694 0.283 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -40.79 -49.03 3.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.737 179.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -64.32 -46.63 82.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -37.45 82.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.5 p -69.59 -40.18 76.85 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.785 0.326 . . . . 0.0 110.654 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.583 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -60.0 -35.61 75.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.492 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.1 p -81.48 -34.35 31.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.667 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' CYS . 25.9 t -89.26 150.82 22.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.488 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -61.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 p -41.88 -67.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.4 m -45.31 -44.97 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -67.89 -30.24 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -67.65 -22.35 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -88.41 -30.85 19.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.598 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.59 -57.14 8.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -51.81 -38.69 56.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.07 -34.09 54.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.85 -53.07 6.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.524 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.1 mm? -55.06 -49.94 70.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.925 0.393 . . . . 0.0 110.758 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.669 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.2 mttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.818 0.342 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 p -95.8 20.16 10.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.519 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -99.85 9.8 42.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -96.91 -68.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.596 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.33 145.54 43.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.526 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -61.76 -28.27 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.584 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -54.61 -31.71 57.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.509 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -71.26 -56.05 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -31.64 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.479 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.42 -56.69 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.31 -74.59 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.73 -34.87 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.537 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -57.0 -88.46 0.01 OUTLIER Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' GLY . 31.2 mt-30 -33.91 -45.71 0.2 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 110.628 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.631 ' O ' HG22 ' A' ' 22' ' ' VAL . 19.0 t -41.31 -77.74 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.522 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.562 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.6 mmp_? -68.35 3.61 1.66 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.012 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -103.52 -2.26 27.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.775 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.07 -24.38 5.57 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -110.67 -47.29 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -110.29 -124.11 0.27 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.483 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 t -155.72 -157.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.658 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.3 -45.79 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.714 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.79 -36.92 3.78 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.71 -43.52 18.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.605 0.24 . . . . 0.0 110.753 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.496 ' CZ ' ' SG ' ' A' ' 32' ' ' CYS . 42.0 t80 -43.01 -38.83 2.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.58 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 33' ' ' THR . 2.5 m-85 -54.05 -44.11 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.55 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.14 -36.86 75.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.622 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.69 -37.59 84.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.738 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.496 ' SG ' ' CZ ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -73.52 -36.58 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.769 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 29' ' ' TYR . 80.9 p -79.63 -57.82 3.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.735 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.03 123.67 23.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.708 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -39.16 27.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -56.77 -23.95 46.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.0 m -86.78 -33.59 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -63.06 -27.69 69.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.651 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -40.3 52.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -77.87 -15.37 59.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.613 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.37 -50.92 6.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.456 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.532 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.1 pt20 -56.67 -24.8 51.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -64.46 -29.42 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.35 -43.53 60.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.916 ' H ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -85.66 -54.91 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' GLN . 12.1 t-80 . . . . . 0 C--O 1.218 -0.575 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.57 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.569 ' C ' ' H ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.942 0.401 . . . . 0.0 110.587 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.509 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 11.6 p -68.16 33.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.569 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -118.62 0.92 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.348 179.752 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -25.06 46.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.557 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -150.56 159.51 44.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.544 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.05 -36.33 79.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.637 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -48.57 -59.12 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.89 -47.25 87.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -39.01 35.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 mt -72.55 -43.42 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.08 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.648 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.18 -36.74 52.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.235 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -54.46 -80.94 0.07 OUTLIER Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.7 mm-40 -37.29 -40.75 0.36 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.276 0.56 . . . . 0.0 110.658 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.579 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -54.84 -79.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.218 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.462 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 13.0 mmp_? -67.28 8.63 0.29 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.909 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' A' ' 18' ' ' CYS . 13.7 t70 -108.7 -10.33 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.339 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HG3' HG22 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.77 -15.87 13.72 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.377 179.443 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.3 OUTLIER -120.76 -47.31 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.358 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -108.13 -130.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 4.0 t -145.69 -171.02 3.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.602 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.488 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -68.61 -23.02 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.457 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.416 ' H ' HG23 ' A' ' 24' ' ' THR . . . -65.92 -31.69 80.36 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -36.8 20.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.619 0.247 . . . . 0.0 110.601 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -38.93 -32.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.658 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -55.66 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.6 -34.78 59.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' SG ' HG22 ' A' ' 37' ' ' THR . 36.3 t -71.97 -33.82 68.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.786 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 5' ' ' CYS . 1.8 t -64.76 -32.79 74.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.82 -51.38 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.374 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 t -53.63 128.73 30.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -81.4 -56.57 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.777 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -47.43 -22.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.481 HG22 ' SG ' ' A' ' 31' ' ' CYS . 5.3 m -80.62 -61.5 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.635 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.16 -27.85 48.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.649 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -77.42 -34.64 54.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -84.08 -36.67 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.648 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LEU . 20.5 m -67.1 -58.86 4.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.525 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.513 ' NE2' ' OD2' ' A' ' 43' ' ' ASP . 5.1 pp0? -43.5 -40.6 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.341 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.513 ' OD2' ' NE2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -66.74 -32.19 73.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.422 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.5 mt -78.79 -48.99 13.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.346 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.29 -47.9 80.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.715 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.3 pttm . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.619 0.247 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.7 m -77.49 18.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.62 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -130.53 4.26 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.554 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.96 -49.24 12.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.507 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.55 156.6 44.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.224 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -39.88 81.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.469 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -54.84 -47.89 73.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -57.19 -53.71 55.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -54.15 -43.33 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mt -66.87 -47.67 81.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.28 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -31.62 50.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.205 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.41 -86.39 0.03 OUTLIER Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' GLY . 3.5 mm-40 -37.91 -42.02 0.58 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.066 0.46 . . . . 0.0 110.075 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.508 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 19.0 t -49.87 -83.12 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.069 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.508 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.4 mmp_? -75.96 18.02 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.468 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 18' ' ' CYS . 11.0 t70 -114.01 -10.21 12.9 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.333 0.395 . . . . 0.0 110.257 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -112.2 -27.13 8.47 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.495 HG23 ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -106.13 -69.73 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.666 179.699 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' H ' HG23 ' A' ' 22' ' ' VAL . 34.6 mmtm -80.68 -133.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 10.0 t -144.38 -158.82 0.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.024 0.44 . . . . 0.0 110.827 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.467 ' N ' ' OG1' ' A' ' 24' ' ' THR . 3.8 m-20 -69.83 -42.32 73.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.3 -45.44 21.6 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -69.55 -45.5 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.744 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CZ ' ' SG ' ' A' ' 32' ' ' CYS . 47.7 t80 -48.31 -43.33 32.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.511 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -45.75 75.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.292 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -38.78 81.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.702 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 2.7 p -72.8 -44.11 61.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.794 0.33 . . . . 0.0 110.664 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.613 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 29.6 m -51.09 -36.95 42.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.419 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.5 p -81.84 -46.15 14.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 31' ' ' CYS . 9.3 p -74.35 146.6 42.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -56.11 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.655 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -46.95 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.775 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -63.55 -55.41 24.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.399 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.84 -25.39 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.611 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -83.08 -32.84 26.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -83.44 -17.05 43.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -84.33 -54.1 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.088 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' HIS . 3.4 pt20 -52.01 -27.55 13.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.427 . . . . 0.0 110.511 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -30.17 70.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.636 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -75.68 -42.16 51.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.82 ' H ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -89.21 -68.73 0.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 7.0 p80 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.564 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 pttm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.768 0.318 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 3.22 5.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.25 11.84 20.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -82.42 -81.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.5 m -142.3 167.68 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.714 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.583 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -61.09 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.549 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -47.55 -47.13 28.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.639 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -63.28 -45.61 90.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.595 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.3 -42.18 90.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.06 -46.07 82.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.94 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -49.43 -33.26 13.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.344 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.53 -83.45 0.05 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' GLY . 7.1 mt-30 -34.73 -47.28 0.33 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.952 0.406 . . . . 0.0 110.461 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.582 ' SG ' HD23 ' A' ' 45' ' ' LEU . 4.9 m -44.92 -66.06 0.45 Allowed 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.565 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 5.86 8.09 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.982 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.2 -7.23 21.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -115.36 -0.63 13.1 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.278 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.66 -53.45 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.26 179.603 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -96.55 -137.67 0.26 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.749 0.309 . . . . 0.0 110.543 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 9.5 t -142.85 -165.06 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.9 OUTLIER -66.67 -53.9 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.07 -23.52 3.89 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.75 -50.74 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.717 0.294 . . . . 0.0 110.49 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -34.68 8.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.402 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.07 -42.79 66.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' SER . 4.1 mp0 -72.32 -37.04 69.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.582 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 21.0 t -57.05 -34.3 68.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -41.47 29.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.0 p -79.92 -15.17 57.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' GLU . 97.0 p -101.03 133.15 45.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -83.5 -59.49 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.1 -36.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.662 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -71.64 -55.8 7.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.684 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -46.57 -37.33 7.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.721 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -33.13 71.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.674 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -81.88 -30.25 32.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' LEU . 11.6 t -69.0 -63.69 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -40.5 -39.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.378 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -61.48 -36.87 81.68 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.476 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' CYS . 6.0 mt -72.57 -51.71 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.258 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.582 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.7 mm? -60.9 -51.85 67.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.598 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.505 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mttp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.927 0.394 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -74.81 2.64 9.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.603 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -102.99 0.76 32.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -80.29 -60.6 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.93 154.61 35.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.34 -33.47 72.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.431 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -58.33 -46.89 85.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -65.26 -40.9 94.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.583 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -60.35 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.713 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.2 mt -61.17 -49.59 84.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.256 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.68 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.57 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -37.13 46.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.613 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.5 -86.86 0.01 OUTLIER Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -42.13 -45.89 4.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.734 0.302 . . . . 0.0 110.527 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 48.8 t -43.21 -42.15 4.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -106.35 -3.74 20.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.869 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.87 -5.58 41.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.339 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -110.75 -10.12 14.47 Favored 'General case' 0 C--O 1.228 -0.05 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.537 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -129.45 -43.44 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.533 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -110.02 -140.97 0.38 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.591 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 26' ' ' GLY . 14.8 t -133.2 -160.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.52 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -46.79 68.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.71 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.401 ' H ' HG23 ' A' ' 24' ' ' THR . . . -48.06 -45.52 26.57 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -65.49 -46.81 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.591 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -50.87 -40.3 56.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.602 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -44.6 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.681 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.29 -48.57 62.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 9.8 p -69.0 -43.54 74.64 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.73 0.3 . . . . 0.0 110.667 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.605 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -50.08 -37.67 34.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.498 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.4 p -80.42 -44.37 19.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.452 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 31' ' ' CYS . 74.8 m -74.72 150.8 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.69 -60.89 1.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 39' ' ' LYS . 8.9 t -41.06 -64.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -42.1 -58.09 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.501 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 3.7 t80 -52.9 -31.14 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' SER . 29.4 tttt -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -89.62 -41.25 12.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.31 -53.32 56.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 8.7 pt20 -48.54 -40.34 26.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 42' ' ' GLN . 3.4 t0 -56.82 -27.54 60.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.441 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -81.0 -58.07 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.695 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.6 mm? -73.76 -59.36 2.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.716 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' GLN . 1.6 t-80 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.498 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 6' ' ' GLU . 12.2 pttt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.822 0.344 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.421 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.7 m -65.44 4.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.657 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 4' ' ' LYS . 5.4 pt-20 -110.36 13.59 22.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.651 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -79.97 -89.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.04 161.62 36.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.745 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -63.19 -37.24 86.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.497 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -53.15 -66.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.07 0.462 . . . . 0.0 110.656 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.628 ' H ' ' CD ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -49.89 -44.75 50.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.591 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.25 -54.62 44.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.7 mt -56.68 -39.31 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.368 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.89 -70.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.667 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -27.17 68.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.716 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.39 -72.34 0.66 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -55.43 -35.34 65.3 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.217 0.532 . . . . 0.0 110.519 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.8 t -52.68 -80.34 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.258 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -54.25 -27.98 38.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.344 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -75.61 -11.24 59.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -98.37 -28.95 13.41 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.345 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.91 -62.82 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.752 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -84.68 -124.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.709 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 7.9 t -148.37 -168.29 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.459 . . . . 0.0 110.621 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.457 ' N ' ' OG1' ' A' ' 24' ' ' THR . 4.2 m-20 -66.47 -40.05 89.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.589 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.66 -41.02 56.63 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -68.87 -44.75 72.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.771 0.32 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -49.49 22.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.395 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.12 -48.55 81.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.483 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.7 mt-10 -51.38 -39.25 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.309 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.571 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -68.32 -58.27 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.436 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.571 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.98 -34.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.438 . . . . 0.0 110.677 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 71.8 p -80.01 -45.13 18.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.471 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.2 t -84.56 149.69 25.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.13 0.491 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -91.09 -59.91 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.9 m -40.22 -58.94 1.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -46.73 -56.12 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.637 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.534 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -54.14 -27.83 36.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.462 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -71.32 -21.21 62.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.771 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -89.33 -34.27 16.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -75.83 -39.2 57.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 9.2 pt20 -54.47 -33.91 60.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.168 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.46 -29.21 65.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.95 -53.03 29.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.357 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 45' ' ' LEU . 4.6 mm? -76.89 -47.34 21.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.673 179.729 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 pttt . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.821 0.343 . . . . 0.0 110.649 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.99 13.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.61 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.69 -2.03 14.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -80.16 -67.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.49 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.48 160.9 42.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -36.13 80.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.487 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -53.17 -43.98 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HG2' ' H ' ' A' ' 11' ' ' ARG . 8.9 mmt180 -69.62 -39.31 77.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.91 -41.97 99.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -74.34 -41.42 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.71 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.501 . . . . 0.0 110.608 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -32.26 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.51 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.08 -85.38 0.04 OUTLIER Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.491 ' HB2' HD21 ' A' ' 45' ' ' LEU . 3.0 mm-40 -35.23 -47.33 0.4 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 110.728 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.627 ' O ' HG22 ' A' ' 22' ' ' VAL . 47.2 t -42.11 -72.22 0.07 Allowed 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.688 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.598 ' NE ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -70.24 0.42 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.679 0.276 . . . . 0.0 110.815 -178.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.66 -10.74 24.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HG2' HG22 ' A' ' 22' ' ' VAL . 10.1 ptmt -111.51 -25.0 9.82 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.508 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.3 OUTLIER -110.91 -52.22 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.256 179.799 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' NZ ' ' CE2' ' A' ' 27' ' ' TYR . 21.8 mmtp -100.06 -124.61 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.703 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.51 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.8 t -153.4 -175.4 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.559 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.51 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.2 OUTLIER -66.46 -14.61 62.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.465 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.37 -53.92 7.22 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CE2' ' NZ ' ' A' ' 23' ' ' LYS . 4.2 m-85 -64.4 -35.09 79.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.432 . . . . 0.0 110.574 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -29.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -60.24 -51.64 68.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.493 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -62.44 -27.32 69.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.14 -37.25 75.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.469 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -37.21 60.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.498 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.7 p -80.89 -61.01 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.624 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.7 137.23 58.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -89.78 -44.63 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -56.67 -22.33 33.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m -84.36 -42.48 15.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -55.29 -46.95 76.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 3.4 tttp -63.36 -26.02 68.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.32 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.82 -13.76 33.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.044 0.45 . . . . 0.0 110.729 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.499 ' SG ' ' CZ ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -97.1 -22.47 16.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -30.94 56.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.4 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.37 -40.57 91.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.256 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 44' ' ' LEU . 3.7 mm? -63.71 -52.8 58.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 17' ' ' GLN . 1.3 mm? -61.48 -50.0 74.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.67 179.686 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.002 0.43 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 0.83 3.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -92.39 3.75 54.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.777 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -80.32 -77.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.83 171.84 13.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.36 -38.39 78.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.646 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -42.89 73.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.602 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 11' ' ' ARG . 13.2 mmt85 -67.53 -49.41 63.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.589 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -53.89 -43.72 69.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.13 -44.81 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.56 -76.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.691 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -34.08 14.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.141 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -60.86 -82.57 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' GLY . 62.9 mm-40 -38.55 -35.96 0.22 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.687 0.28 . . . . 0.0 110.739 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.483 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 44.5 t -58.32 -49.26 77.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.336 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HE ' ' C ' ' A' ' 18' ' ' CYS . 2.7 mmp_? -107.13 7.2 29.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.662 0.268 . . . . 0.0 110.722 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' GLY . 3.1 t70 -103.34 -10.93 18.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.107 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 -3.72 18.31 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.492 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -132.71 -61.93 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.279 -179.511 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -90.91 -144.58 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.7 t -126.66 -172.24 2.59 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.644 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.542 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.2 OUTLIER -60.94 -41.8 96.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.456 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.99 -47.59 32.0 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -64.15 -44.95 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.744 0.307 . . . . 0.0 110.618 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -56.04 -41.13 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.003 0.43 . . . . 0.0 110.267 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.403 ' N ' ' CD2' ' A' ' 28' ' ' PHE . 15.2 t80 -63.95 -42.33 97.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.379 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.8 -44.23 86.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.597 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.567 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 6.5 p -71.52 -40.92 69.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 120.738 0.304 . . . . 0.0 110.77 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.567 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -54.16 -38.17 65.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.569 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.2 p -81.77 -43.57 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.607 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' CYS . 25.4 t -76.6 148.09 37.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.451 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -89.91 -62.58 1.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.88 -58.58 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -50.29 -49.91 52.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.646 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.31 -23.93 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.49 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -72.06 -24.83 61.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.647 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.2 -32.46 22.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.637 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.9 m -70.61 -55.95 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.586 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -49.98 -35.47 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.38 -33.09 74.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.469 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.01 -48.87 56.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.277 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.77 -56.64 5.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.492 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.181 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.489 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.804 0.335 . . . . 0.0 110.601 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.489 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -71.33 0.38 8.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.592 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -122.15 16.92 10.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.423 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -89.0 -74.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.364 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -135.42 154.81 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.511 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -58.69 -35.28 72.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.49 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -60.98 -51.1 70.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.489 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -53.1 -42.96 66.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -65.88 -48.88 70.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.67 -38.34 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.82 -70.12 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.657 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.87 -28.43 56.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.479 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -60.55 -82.27 0.07 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLY . 4.9 mt-30 -38.71 -44.81 1.04 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.688 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.683 ' O ' HG22 ' A' ' 22' ' ' VAL . 27.1 t -45.48 -73.02 0.05 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.482 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.586 ' NE ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -63.05 -2.61 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.814 0.34 . . . . 0.0 110.332 -179.339 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.9 OUTLIER -100.39 -9.64 22.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -113.23 -15.17 12.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.372 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 18' ' ' CYS . 2.4 m -124.42 -41.15 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.49 ' HG2' HG23 ' A' ' 22' ' ' VAL . 23.4 mmtp -110.58 -124.35 0.27 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.71 HG23 ' H ' ' A' ' 26' ' ' GLY . 9.8 t -147.77 168.13 22.93 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -60.18 -10.13 4.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.71 ' H ' HG23 ' A' ' 24' ' ' THR . . . -77.7 -55.05 4.33 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.8 -29.7 70.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.727 0.299 . . . . 0.0 110.532 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.513 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -43.42 -33.17 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -73.84 -47.11 40.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.1 -33.73 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.579 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.7 p -71.53 -42.32 68.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.743 0.306 . . . . 0.0 110.685 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.609 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -58.53 -33.35 69.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.346 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -81.9 -51.17 8.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.532 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -72.55 146.85 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.54 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -63.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.81 -46.59 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.69 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.7 m -63.15 -39.74 95.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.665 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -69.98 -31.47 69.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -68.66 -27.48 66.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -82.67 -22.93 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.723 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.529 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 1.3 m -75.4 -62.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -35.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.419 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.0 -35.76 69.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.46 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' CYS . 22.4 mt -72.82 -52.94 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.252 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' A' ' 45' ' ' LEU . 2.1 mm? -58.44 -50.97 71.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.772 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.3 t60 . . . . . 0 C--O 1.218 -0.571 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.62 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.799 0.333 . . . . 0.0 110.553 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.26 23.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.453 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -129.02 2.4 5.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.436 ' CG ' ' H ' ' A' ' 8' ' ' SER . 14.5 p30 -82.27 -109.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.436 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -100.56 131.88 46.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.566 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -49.55 -33.58 15.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.607 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -53.62 -33.14 54.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.501 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' N ' ' HE ' ' A' ' 11' ' ' ARG . 4.2 mmp_? -68.23 -60.43 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -51.08 -38.0 49.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.712 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.85 -45.47 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.25 -71.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.756 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -25.94 55.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.356 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.04 -81.1 0.08 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -43.6 -39.51 3.56 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.947 0.403 . . . . 0.0 110.366 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.453 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 41.2 t -51.46 -59.74 3.91 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.533 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.504 ' CD ' ' SG ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -79.64 4.23 16.67 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.748 -179.495 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.98 -11.47 19.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -108.15 -2.19 19.66 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.216 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.32 -54.69 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.33 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -95.6 -138.47 0.24 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.614 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.525 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.9 t -137.71 -173.55 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.525 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -62.9 -43.77 97.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.49 -37.39 60.36 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.08 -42.13 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.601 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -50.35 -47.43 56.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -63.74 -49.49 72.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.455 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -39.74 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.243 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -69.76 -53.44 18.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.58 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.78 -32.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.2 p -87.1 -45.56 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.47 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.48 ' O ' ' O ' ' A' ' 31' ' ' CYS . 2.8 m -84.71 135.03 34.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 0.0 110.8 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 37' ' ' THR . 38.9 t70 -88.41 -44.04 11.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.819 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -59.24 -4.65 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.753 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 35' ' ' ASP . 13.3 m -104.14 -38.64 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.513 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 9.8 t80 -70.27 -11.99 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.463 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -81.16 -23.2 38.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -89.98 -24.92 21.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.533 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.504 ' SG ' ' CD ' ' A' ' 19' ' ' ARG . 1.2 m -78.07 -60.09 2.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.57 HE21 ' C ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -47.68 -29.2 2.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.287 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.0 -32.59 73.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mt -81.67 -51.55 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.16 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -48.44 70.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.632 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.9 m80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.601 179.869 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 pttm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.776 0.322 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 m -73.06 4.87 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.617 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.03 5.66 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.51 -68.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.491 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.52 145.72 49.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.481 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.32 -31.04 63.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.441 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -61.72 -46.16 90.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -61.01 -43.68 98.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -45.66 82.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.65 -40.08 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.938 0.399 . . . . 0.0 110.049 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.482 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . -54.12 -67.38 0.27 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.683 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' O ' ' A' ' 28' ' ' PHE . 3.1 t -57.85 -35.62 71.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.286 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.87 -81.79 0.05 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HB2' HD21 ' A' ' 45' ' ' LEU . 5.3 mm-40 -40.85 -47.67 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.126 0.488 . . . . 0.0 110.474 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.591 ' SG ' HD23 ' A' ' 45' ' ' LEU . 64.0 m -47.58 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.628 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' N ' ' HE ' ' A' ' 19' ' ' ARG . 1.4 mmp_? -60.09 -1.18 0.28 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.197 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 18' ' ' CYS . 17.0 t70 -96.89 -12.24 23.72 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.467 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -107.44 -33.49 7.34 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.354 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -70.86 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.65 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -80.54 -147.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.725 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.71 HG23 ' H ' ' A' ' 26' ' ' GLY . 9.7 t -111.25 172.28 6.98 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.554 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -73.47 7.09 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.71 ' H ' HG23 ' A' ' 24' ' ' THR . . . -100.15 -16.21 28.4 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -90.65 -16.28 28.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.585 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 1.6 p90 -52.33 -38.32 58.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -73.19 -33.99 65.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.848 0.356 . . . . 0.0 110.766 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' CD ' ' CE1' ' A' ' 27' ' ' TYR . 1.9 mt-10 -57.85 -46.66 84.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -74.24 -43.77 55.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.425 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.557 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -45.61 -35.95 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.408 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 29' ' ' TYR . 67.5 p -82.33 -49.26 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.265 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -71.86 145.94 48.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -85.53 -59.22 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.65 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.1 t -44.06 -64.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.677 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 m -47.09 -48.41 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -62.47 -33.31 74.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.621 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -33.88 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.592 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -77.94 -32.21 51.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 14' ' ' ALA . 4.0 t -68.47 -65.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.703 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.495 ' NE2' ' OD1' ' A' ' 43' ' ' ASP . 0.8 OUTLIER -44.06 -33.72 1.54 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.474 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.495 ' OD1' ' NE2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -67.93 -33.85 75.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.278 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' CYS . 3.5 mt -73.16 -49.87 25.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.224 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.591 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.4 mm? -64.46 -52.24 58.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.635 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.507 -179.876 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -82.14 77.43 8.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.678 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 m120 61.89 116.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.594 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' A' ' 6' ' ' GLU . 54.1 pttt -131.49 -153.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 18.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.656 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -91.87 -16.78 26.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.54 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.476 ' CG ' ' H ' ' A' ' 8' ' ' SER . 61.3 t30 -81.35 -125.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.506 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.476 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 0.5 OUTLIER -88.85 134.8 33.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.377 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.498 ' H ' HD12 ' A' ' 9' ' ' LEU . 1.3 mp -58.5 -5.07 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.676 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' H ' ' C ' ' A' ' 8' ' ' SER . 3.4 ptt180 -57.77 -36.52 72.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.519 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -88.66 -27.95 20.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.732 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.7 -36.32 80.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.67 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mt -64.5 -45.38 95.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.234 0.54 . . . . 0.0 109.827 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.72 -70.73 0.09 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.459 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 28' ' ' PHE . 44.2 t -41.72 -42.05 2.46 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.961 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.32 -83.95 0.04 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -43.17 -38.49 2.49 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.469 0.652 . . . . 0.0 110.219 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.609 ' O ' HG22 ' A' ' 22' ' ' VAL . 23.9 t -55.31 -83.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.358 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.9 mmp_? -63.13 5.39 0.15 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.592 0.234 . . . . 0.0 111.452 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 18' ' ' CYS . 22.8 t70 -105.38 -12.14 16.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.773 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -111.65 -21.97 11.43 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.291 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.2 OUTLIER -110.24 -41.87 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.595 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -111.36 -124.69 0.27 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.869 HG23 ' H ' ' A' ' 26' ' ' GLY . 10.9 t -146.31 179.91 7.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.467 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -72.93 11.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.869 ' H ' HG23 ' A' ' 24' ' ' THR . . . -107.97 -7.71 30.76 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.431 ' C ' ' N ' ' A' ' 29' ' ' TYR . 1.6 m-85 -103.94 -23.83 13.32 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 120.632 0.253 . . . . 0.0 110.602 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.546 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -48.28 -16.02 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 0.0 110.517 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.439 ' O ' HG23 ' A' ' 33' ' ' THR . 1.8 t80 -72.83 -27.5 61.99 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.603 -0.439 . . . . 0.0 110.605 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.75 -53.64 54.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.608 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -73.05 -52.98 12.3 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.699 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.6 -26.01 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.621 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 29' ' ' TYR . 63.6 p -98.27 -47.38 5.47 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.806 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -99.64 137.11 38.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.538 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -85.51 -40.91 15.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.7 t -48.36 -39.55 22.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 40' ' ' LYS . 98.5 m -70.33 -48.22 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.736 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.44 -38.12 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.605 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -25.22 67.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.554 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' THR . 14.9 tttt -86.61 -26.51 24.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.29 -49.67 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.634 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -56.71 -33.19 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.346 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -58.62 -33.25 69.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.364 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -83.0 -49.7 9.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -57.2 -48.5 78.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.395 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.353 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -105.26 92.77 4.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.579 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.97 102.28 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.574 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -153.45 -106.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.598 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -7.93 35.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.49 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -100.68 6.12 43.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.541 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -82.1 -63.81 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.67 156.63 41.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.497 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -61.63 -35.37 77.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.49 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -54.14 -47.76 71.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -64.75 -40.12 94.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.629 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -63.05 -38.54 91.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.3 mt -74.44 -44.9 47.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.398 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.36 -74.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.701 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -54.33 -36.4 63.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.477 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.56 -86.53 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -40.61 -39.53 1.08 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.898 0.38 . . . . 0.0 110.591 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 1.8 t -43.82 -50.16 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.976 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -103.85 8.37 37.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.92 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.35 -6.02 19.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.398 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -111.42 -17.94 12.99 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.402 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -120.98 -44.26 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.302 -179.156 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.4 mmtt -113.03 -136.99 0.37 Allowed 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.514 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.8 t -142.41 -174.13 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.628 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.514 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.5 OUTLIER -57.3 -46.15 83.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 179.626 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -42.35 -28.87 0.61 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -89.09 -42.86 11.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.633 0.254 . . . . 0.0 110.576 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -42.09 -41.7 2.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.461 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -51.23 -49.63 60.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -65.12 -33.95 77.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.578 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -63.23 -38.7 92.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.596 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -37.37 78.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.632 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.5 p -79.43 -58.16 3.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.46 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.6 t -53.86 135.43 42.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.606 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.13 -47.01 9.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.424 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.4 t -55.09 -33.9 63.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.468 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' CYS . 1.8 m -70.41 -53.0 18.28 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.563 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -56.22 -39.83 73.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -73.04 -28.83 62.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -91.21 -11.27 38.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' THR . 14.3 m -94.45 -39.37 10.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.573 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -58.48 -33.48 69.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.03 -22.39 61.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.471 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.93 -48.14 15.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.404 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 45' ' ' LEU . 4.6 mm? -80.85 -46.16 15.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.8 t60 . . . . . 0 C--N 1.324 -0.529 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.592 179.872 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 3' ' ' ASN . 0.6 OUTLIER -145.54 16.5 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.49 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.459 HD22 ' C ' ' A' ' 2' ' ' ASP . 1.8 m-80 -124.42 70.11 1.1 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.706 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.1 mmtp -103.5 -101.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.444 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.49 15.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.505 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' A' ' 4' ' ' LYS . 1.3 pt-20 -130.53 17.5 5.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.596 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -78.94 -74.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.513 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 t -140.49 161.77 36.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 9' ' ' LEU . 4.3 mm? -62.98 -36.6 84.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -58.07 -42.18 84.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.527 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 mmt85 -65.42 -43.67 89.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.627 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.32 -44.52 97.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.482 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.2 mt -65.08 -42.75 95.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.422 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.89 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.424 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.68 -36.63 16.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.367 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -54.58 -82.88 0.05 OUTLIER Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLY . 45.7 mm-40 -38.64 -50.7 1.63 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.793 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 7.7 t -41.99 -68.06 0.22 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.473 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 2.3 mmp_? -66.98 -5.9 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -92.81 -7.11 47.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.46 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -108.59 -34.05 6.85 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.364 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.94 -63.34 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.539 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -85.15 -125.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.714 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 t -144.17 167.04 23.35 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.623 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER -58.84 -13.74 7.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.413 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.47 -43.55 10.29 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' O ' ' N ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -62.44 -31.19 71.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.761 0.315 . . . . 0.0 110.392 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.442 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -39.3 -34.05 0.18 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.632 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.412 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -73.89 -44.07 56.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.4 mm-40 -58.46 -40.73 83.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.64 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 2.2 p -66.55 -45.02 80.76 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.636 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.64 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -54.44 -35.0 62.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.224 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.4 p -83.06 -51.32 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.435 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.4 m -76.28 141.35 41.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.634 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.07 -47.25 7.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.72 -32.88 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.1 m -81.61 -58.47 3.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.662 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -48.24 -26.87 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.623 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -70.22 -30.15 67.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.516 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -82.71 -30.1 29.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.437 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 44' ' ' LEU . 21.8 m -68.57 -69.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.601 HE21 ' C ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -45.28 -31.63 1.64 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.41 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -64.7 -33.57 76.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.146 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 41' ' ' CYS . 4.8 mt -81.05 -44.99 17.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.139 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.5 mm? -62.64 -56.88 13.67 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.965 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.7 t60 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.965 -1.016 . . . . 0.0 110.608 179.794 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.18 71.99 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.519 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -123.17 83.14 2.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.532 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.511 ' C ' ' H ' ' A' ' 6' ' ' GLU . 4.7 mtpt -143.72 -142.91 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.549 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.4 9.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.668 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 4' ' ' LYS . 11.0 pt-20 -105.58 -0.2 25.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.543 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.633 ' N ' HH12 ' A' ' 11' ' ' ARG . 0.9 OUTLIER -89.74 -158.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.57 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 t -59.39 -178.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 9' ' ' LEU . 7.3 mp -86.95 -22.11 25.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.622 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -49.59 -45.51 47.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.005 0.431 . . . . 0.0 110.648 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.633 HH12 ' N ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -67.4 -42.07 83.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.572 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.42 -35.9 70.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.6 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.5 mt -68.61 -44.07 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.255 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -74.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.455 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -47.64 -27.46 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.169 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.32 -77.54 0.28 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -37.81 -33.44 0.08 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.079 0.466 . . . . 0.0 110.455 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.589 ' SG ' HD23 ' A' ' 45' ' ' LEU . 1.8 m -61.22 -79.48 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.782 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.432 ' CA ' ' HE ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -77.9 17.83 0.54 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.62 0.248 . . . . 0.0 111.182 -179.451 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -112.18 -1.35 15.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.079 179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.665 ' HG3' HG22 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -121.55 -2.56 9.41 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.096 0.474 . . . . 0.0 110.721 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.665 HG22 ' HG3' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -134.74 -66.81 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.694 -178.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -82.15 -133.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.669 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 5.7 t -140.76 -169.22 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.642 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.469 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.9 OUTLIER -62.25 -39.82 94.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.751 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -50.34 -54.68 19.1 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -58.91 -44.08 91.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 110.719 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.52 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -51.56 -41.85 61.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.566 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -67.39 -41.74 84.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.055 0.455 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.81 -42.05 88.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.557 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.7 p -65.0 -45.23 86.44 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 120.768 0.318 . . . . 0.0 110.706 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.642 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.25 -37.19 61.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.425 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 80.6 p -79.68 -43.11 23.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.706 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 31' ' ' CYS . 40.1 t -78.59 142.21 37.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.622 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.477 ' C ' ' H ' ' A' ' 37' ' ' THR . 1.4 m-20 -90.34 -56.79 3.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.644 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -50.89 -9.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.477 ' H ' ' C ' ' A' ' 35' ' ' ASP . 12.0 m -99.14 -47.25 5.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.601 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.69 -37.83 82.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.584 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -19.57 62.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -87.38 -20.8 26.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.59 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 44' ' ' LEU . 7.4 t -77.44 -63.45 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -43.42 -35.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.31 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -60.13 -32.15 70.74 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' CYS . 6.4 mt -84.79 -52.84 5.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.269 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.589 HD23 ' SG ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -52.5 -45.86 66.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 120.885 0.374 . . . . 0.0 110.687 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 17.1 t60 . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.572 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -150.15 61.16 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.592 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 3' ' ' ASN . 8.9 p-10 -175.21 73.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.459 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -108.47 -119.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.741 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.507 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.7 m -92.06 11.95 23.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.15 10.39 40.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.738 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.35 -62.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.554 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.3 m -141.79 147.09 36.72 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.187 0.517 . . . . 0.0 110.751 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 9' ' ' LEU . 8.9 mp -64.56 -25.45 67.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.455 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -55.83 -64.98 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.755 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -58.53 -33.73 70.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.581 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -64.17 -50.14 69.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.617 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.8 mt -61.14 -44.45 98.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.216 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.22 -76.81 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.667 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -29.31 24.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.467 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.47 -86.85 0.02 OUTLIER Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -48.74 -38.25 21.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.743 0.306 . . . . 0.0 110.664 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.503 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 48.6 t -42.19 -79.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.615 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.503 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.8 mmp_? -57.39 -21.17 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 111.034 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.42 -10.32 59.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.367 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -101.71 -27.14 13.21 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.393 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.32 -70.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.044 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -78.2 -145.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.499 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.6 t -127.29 -177.96 4.26 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -35.02 74.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.577 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.77 -39.19 54.88 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.85 -43.26 59.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.749 0.309 . . . . 0.0 110.454 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.516 ' CE1' ' SG ' ' A' ' 32' ' ' CYS . 3.6 t80 -47.83 -42.66 26.85 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.703 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -70.31 -47.55 60.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.476 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -41.02 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.376 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' O ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -67.48 -55.08 15.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.449 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.516 ' SG ' ' CE1' ' A' ' 28' ' ' PHE . 15.5 m -39.25 -36.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.47 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 47.4 p -83.19 -46.08 13.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.467 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.441 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.4 m -91.31 122.76 34.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.769 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.02 -31.04 39.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.599 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 t -62.32 -5.25 2.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.57 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.0 m -101.35 -46.0 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.656 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -28.2 65.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.496 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -22.58 65.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.522 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -90.12 -43.95 10.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.656 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' CZ ' ' A' ' 19' ' ' ARG . 1.4 m -62.78 -54.6 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.618 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -53.54 -27.58 26.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.325 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.37 -20.5 63.83 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.261 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 44' ' ' LEU . 4.4 tp -92.98 -54.53 3.7 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.1 mm? -54.04 -46.66 71.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.639 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.505 179.745 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.93 72.3 2.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.452 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.26 86.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.654 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 6' ' ' GLU . 17.8 pttp -149.04 -132.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.565 -179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.1 16.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.805 0.336 . . . . 0.0 110.526 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 4' ' ' LYS . 15.3 pt-20 -99.97 -9.19 23.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.537 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.547 HD22 ' N ' ' A' ' 7' ' ' ASN . 1.4 m120 -81.3 -115.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.703 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.61 142.11 33.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.476 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.0 mt -56.03 -31.14 62.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.4 mtm-85 -54.22 -36.02 63.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.568 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -65.39 -46.47 79.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.554 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -34.14 77.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.541 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 57.8 mt -71.66 -45.54 66.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.013 0.435 . . . . 0.0 110.17 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.426 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . -54.58 -73.79 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.687 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.65 20.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.171 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.85 -77.93 0.21 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -38.99 -36.84 0.31 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.241 0.544 . . . . 0.0 110.209 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.676 ' SG ' HD23 ' A' ' 45' ' ' LEU . 11.3 m -59.61 -80.76 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.028 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.0 OUTLIER -62.75 7.07 0.08 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.325 -178.674 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.545 ' H ' ' C ' ' A' ' 18' ' ' CYS . 4.7 t70 -106.33 -17.75 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.679 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -106.57 -18.35 13.99 Favored 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.188 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.15 -51.27 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.335 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -100.21 -126.58 0.18 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.771 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' ARG . 2.5 t -152.34 178.61 9.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.557 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' OG1' ' A' ' 24' ' ' THR . 6.5 p-10 -67.67 -6.06 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.521 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.458 ' H ' HG23 ' A' ' 24' ' ' THR . . . -88.08 -20.76 48.45 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -98.95 -25.42 14.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.412 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -53.85 -31.34 49.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.379 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -43.76 75.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.457 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -58.52 -39.47 80.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 5.9 p -73.69 -42.21 61.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 120.861 0.362 . . . . 0.0 110.7 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.59 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -55.43 -31.9 62.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.503 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 69.0 p -83.4 -48.46 10.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.655 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -73.96 147.77 42.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.68 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -90.09 -60.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.722 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.01 -34.47 0.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.593 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -72.8 -56.64 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.454 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 4.0 t80 -50.6 -38.31 45.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.451 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -25.83 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.507 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 tttm -83.15 -28.3 29.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 44' ' ' LEU . 12.8 t -70.37 -66.3 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.587 ' NE2' ' CZ ' ' A' ' 38' ' ' PHE . 1.3 pt20 -41.58 -34.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.25 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.33 -36.81 85.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.386 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 41' ' ' CYS . 2.8 mt -76.24 -53.71 7.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.417 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.676 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.1 mm? -53.46 -48.29 68.98 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.372 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.141 -0.933 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -91.7 78.13 5.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.591 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -159.39 91.6 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.613 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 6' ' ' GLU . 2.0 mtmt -128.96 -155.98 0.73 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.589 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 11.3 m -65.71 2.5 0.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.66 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 4' ' ' LYS . 1.9 pt-20 -106.63 2.77 26.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.575 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -78.93 -82.75 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.85 170.69 15.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.53 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.71 -34.86 76.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.357 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -59.04 -43.06 91.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.285 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -64.43 -47.71 78.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.327 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -55.98 -45.37 78.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.598 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.0 mt -64.88 -43.24 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.352 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.12 -69.63 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.51 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -33.21 68.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.569 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.21 -80.02 0.09 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -46.92 -39.4 12.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.666 0.269 . . . . 0.0 110.69 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 45.4 t -49.7 -45.08 48.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.742 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -10.27 30.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 120.585 0.231 . . . . 0.0 110.683 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.82 -1.83 58.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.705 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 ptmm? -115.4 -4.65 12.32 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.803 0.335 . . . . 0.0 110.186 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.3 -47.35 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.29 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -102.31 -138.86 0.35 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.552 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 8.7 t -135.81 -165.03 1.64 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.541 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.467 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.6 OUTLIER -70.35 -40.42 74.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.23 87.91 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -67.26 -45.2 77.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.802 0.334 . . . . 0.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.527 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -49.66 -37.69 29.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -71.48 -43.3 66.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.468 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -57.1 -42.01 79.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.591 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 6.3 p -68.57 -42.02 78.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.702 0.286 . . . . 0.0 110.764 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.591 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -53.92 -35.64 61.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.359 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 p -79.62 -49.66 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.607 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.75 150.1 44.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -90.08 -62.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.693 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 m -44.47 -51.87 8.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.647 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.9 m -55.57 -50.73 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -61.5 -35.63 78.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.477 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -25.59 67.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -86.39 -22.93 26.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.527 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -83.97 -46.14 12.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.637 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -57.05 -24.91 57.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.393 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 31.5 t0 -76.04 -24.68 55.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.46 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.7 mt -76.48 -52.14 10.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.516 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.9 mm? -78.69 -37.9 40.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.473 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.2 m80 . . . . . 0 C--N 1.323 -0.557 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.5 179.731 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.61 96.08 5.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.505 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -113.95 68.16 0.69 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.708 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' A' ' 6' ' ' GLU . 40.2 mmtt -108.76 -100.94 0.38 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.599 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 18.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.6 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.3 pt-20 -136.34 16.39 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.521 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -83.33 -82.9 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.578 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.68 158.47 43.62 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.054 0.454 . . . . 0.0 110.455 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.67 -24.49 8.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.356 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.474 ' CG ' ' N ' ' A' ' 11' ' ' ARG . 7.8 ptp180 -55.31 -43.18 74.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.474 ' N ' ' CG ' ' A' ' 10' ' ' ARG . 25.1 mtp180 -75.44 -42.7 52.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.484 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.75 -40.8 84.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.765 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.0 mt -72.41 -51.19 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.23 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.35 -32.52 25.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.418 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -58.37 -84.44 0.04 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLY . 1.7 mm100 -33.92 -52.88 0.45 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.715 0.293 . . . . 0.0 110.524 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.692 ' O ' HG22 ' A' ' 22' ' ' VAL . 13.3 m -39.25 -72.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.813 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.425 HH21 HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -68.69 2.12 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.694 -179.39 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.14 -5.61 24.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.618 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -116.35 -22.15 8.94 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 120.872 0.368 . . . . 0.0 110.351 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 18' ' ' CYS . 2.4 m -117.37 -45.56 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.785 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG2' HG23 ' A' ' 22' ' ' VAL . 33.4 mmtt -109.66 -138.99 0.38 Allowed 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.889 0.376 . . . . 0.0 110.713 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 3.0 t -142.59 -166.57 2.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.478 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.536 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -65.05 -38.88 92.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.118 0.485 . . . . 0.0 110.584 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -51.52 -45.15 53.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -73.68 -45.97 49.23 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.136 -0.226 . . . . 0.0 110.739 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -38.8 -46.72 1.31 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.502 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -50.37 -47.98 55.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.568 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.49 -30.5 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 37' ' ' THR . 8.8 t -64.7 -38.42 90.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.29 -36.76 74.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.517 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 65.1 p -79.03 -55.73 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 t -61.85 141.99 57.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.548 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -91.14 -46.75 7.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.758 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -52.13 -38.14 56.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.608 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.477 HG22 ' SG ' ' A' ' 31' ' ' CYS . 11.8 m -67.85 -48.17 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.638 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.65 -23.77 66.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.652 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -81.83 -34.27 30.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.605 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -84.42 -30.03 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.491 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 44' ' ' LEU . 14.6 t -65.53 -68.3 0.37 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.514 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' CD ' ' N ' ' A' ' 43' ' ' ASP . 5.1 pp0? -41.89 -40.86 2.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.449 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.432 ' N ' ' CD ' ' A' ' 42' ' ' GLN . 8.9 t0 -55.85 -36.78 67.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.409 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' CYS . 3.5 mt -77.65 -52.04 9.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.338 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.533 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.2 mm? -56.19 -49.65 73.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.721 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -103.16 40.75 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.58 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 3' ' ' ASN . 16.4 t-20 -171.25 48.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.777 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' C ' ' H ' ' A' ' 6' ' ' GLU . 1.7 ptpp? -129.17 -140.15 0.24 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.693 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.528 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 22.7 m -75.64 16.21 0.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.362 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -102.57 -10.35 19.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.59 -157.05 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.468 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.427 ' C ' ' N ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -51.31 130.44 26.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.409 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.435 ' H ' HD12 ' A' ' 9' ' ' LEU . 1.3 mp -47.46 -18.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.698 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' N ' ' C ' ' A' ' 8' ' ' SER . 40.9 mmt-85 -60.4 -48.79 80.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.607 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -59.04 -42.0 89.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.549 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -62.09 -47.06 86.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.709 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.1 mt -63.36 -44.03 98.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.902 0.382 . . . . 0.0 110.451 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.04 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.618 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.29 -34.69 3.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.158 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.67 -78.0 0.15 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' LYS . 13.6 mm100 -43.36 -47.16 6.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.498 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 t -41.96 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.484 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -54.99 -26.02 33.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.011 0.434 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.51 -7.24 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.464 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLN . 8.6 mmtp -101.8 -26.44 13.46 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.19 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.9 -55.89 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -89.09 -112.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.626 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.412 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 2.8 t -160.46 177.85 10.14 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.343 0.592 . . . . 0.0 110.696 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' N ' ' OG1' ' A' ' 24' ' ' THR . 6.0 p-10 -67.93 -14.21 62.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.477 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.02 -29.16 67.28 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.35 -32.97 17.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.694 0.283 . . . . 0.0 110.386 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -40.79 -49.03 3.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.737 179.731 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -64.32 -46.63 82.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.929 0.395 . . . . 0.0 110.746 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -37.45 82.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.5 p -69.59 -40.18 76.85 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 120.785 0.326 . . . . 0.0 110.654 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.583 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -60.0 -35.61 75.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.492 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 72.1 p -81.48 -34.35 31.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.667 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' CYS . 25.9 t -89.26 150.82 22.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.488 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.46 -61.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 p -41.88 -67.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.4 m -45.31 -44.97 11.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -67.89 -30.24 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.494 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -67.65 -22.35 65.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.641 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -88.41 -30.85 19.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.598 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.59 -57.14 8.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -51.81 -38.69 56.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.07 -34.09 54.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.235 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 mt -82.85 -53.07 6.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.524 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.1 mm? -55.06 -49.94 70.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.925 0.393 . . . . 0.0 110.758 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 117.844 -1.074 . . . . 0.0 110.669 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.09 113.0 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.655 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -157.19 64.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.491 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -90.59 -128.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.651 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 p -95.8 20.16 10.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.519 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -99.85 9.8 42.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.512 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -96.91 -68.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.596 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.33 145.54 43.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.526 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD23 ' H ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -61.76 -28.27 69.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.584 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -54.61 -31.71 57.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.509 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -71.26 -56.05 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.534 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.18 -31.64 32.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.479 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.0 mt -73.42 -56.69 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.802 0.334 . . . . 0.0 110.217 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.31 -74.59 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -51.73 -34.87 40.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.537 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -57.0 -88.46 0.01 OUTLIER Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 16' ' ' GLY . 31.2 mt-30 -33.91 -45.71 0.2 Allowed 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.865 0.364 . . . . 0.0 110.628 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.631 ' O ' HG22 ' A' ' 22' ' ' VAL . 19.0 t -41.31 -77.74 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.522 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.562 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.6 mmp_? -68.35 3.61 1.66 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.012 -179.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -103.52 -2.26 27.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.775 179.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.07 -24.38 5.57 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -110.67 -47.29 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -110.29 -124.11 0.27 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.483 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.1 t -155.72 -157.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.658 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.3 -45.79 62.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.714 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.79 -36.92 3.78 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -81.71 -43.52 18.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.605 0.24 . . . . 0.0 110.753 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.496 ' CZ ' ' SG ' ' A' ' 32' ' ' CYS . 42.0 t80 -43.01 -38.83 2.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.58 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 33' ' ' THR . 2.5 m-85 -54.05 -44.11 70.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.55 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -70.14 -36.86 75.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.622 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.6 t -61.69 -37.59 84.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.738 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.496 ' SG ' ' CZ ' ' A' ' 28' ' ' PHE . 0.9 OUTLIER -73.52 -36.58 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.769 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 29' ' ' TYR . 80.9 p -79.63 -57.82 3.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.735 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.03 123.67 23.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.708 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -39.16 27.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -56.77 -23.95 46.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.561 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.0 m -86.78 -33.59 19.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -63.06 -27.69 69.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.651 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.29 -40.3 52.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -77.87 -15.37 59.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.613 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.37 -50.92 6.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.456 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.532 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 5.1 pt20 -56.67 -24.8 51.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -64.46 -29.42 70.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.741 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.35 -43.53 60.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.916 ' H ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -85.66 -54.91 4.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.312 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 42' ' ' GLN . 12.1 t-80 . . . . . 0 C--O 1.218 -0.575 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.57 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -105.23 18.69 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.601 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -89.43 57.56 4.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.509 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.569 ' C ' ' H ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -84.9 -179.04 7.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.587 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.509 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 11.6 p -68.16 33.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.923 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.569 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -118.62 0.92 11.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.348 179.752 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -25.06 46.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.557 -179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -150.56 159.51 44.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.544 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.05 -36.33 79.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.637 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.7 mtt-85 -48.57 -59.12 3.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.554 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -60.89 -47.25 87.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.509 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -39.01 35.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.0 mt -72.55 -43.42 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.477 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.08 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.648 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 m -52.18 -36.74 52.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.235 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -54.46 -80.94 0.07 OUTLIER Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' GLY . 5.7 mm-40 -37.29 -40.75 0.36 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.276 0.56 . . . . 0.0 110.658 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.579 ' O ' HG22 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -54.84 -79.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.218 -179.754 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.462 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 13.0 mmp_? -67.28 8.63 0.29 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.909 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' H ' ' C ' ' A' ' 18' ' ' CYS . 13.7 t70 -108.7 -10.33 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.339 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HG3' HG22 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -110.77 -15.87 13.72 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.377 179.443 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.3 OUTLIER -120.76 -47.31 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.358 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -108.13 -130.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 4.0 t -145.69 -171.02 3.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.602 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.488 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -68.61 -23.02 64.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.457 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.416 ' H ' HG23 ' A' ' 24' ' ' THR . . . -65.92 -31.69 80.36 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -36.8 20.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.619 0.247 . . . . 0.0 110.601 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -38.93 -32.25 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.658 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.84 -55.66 27.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.688 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.6 -34.78 59.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.601 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' SG ' HG22 ' A' ' 37' ' ' THR . 36.3 t -71.97 -33.82 68.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.786 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 5' ' ' CYS . 1.8 t -64.76 -32.79 74.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.82 -51.38 4.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.374 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.5 t -53.63 128.73 30.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -81.4 -56.57 3.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.777 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -47.43 -22.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.627 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.481 HG22 ' SG ' ' A' ' 31' ' ' CYS . 5.3 m -80.62 -61.5 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.635 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.16 -27.85 48.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.649 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.9 tttm -77.42 -34.64 54.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.737 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -84.08 -36.67 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.648 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' LEU . 20.5 m -67.1 -58.86 4.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.525 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.513 ' NE2' ' OD2' ' A' ' 43' ' ' ASP . 5.1 pp0? -43.5 -40.6 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.341 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.513 ' OD2' ' NE2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -66.74 -32.19 73.33 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.422 179.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' CYS . 8.5 mt -78.79 -48.99 13.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.346 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.29 -47.9 80.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.715 179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 3' ' ' ASN . 11.5 p-10 -149.47 -134.74 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.602 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.443 ' N ' ' CG ' ' A' ' 2' ' ' ASP . 3.3 t30 55.61 73.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.592 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 6' ' ' GLU . 7.3 pttm -133.05 -116.29 0.21 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 82.7 m -77.49 18.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 0.0 110.62 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -130.53 4.26 4.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.554 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.96 -49.24 12.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.507 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.55 156.6 44.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.224 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -39.88 81.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.469 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -54.84 -47.89 73.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.489 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -57.19 -53.71 55.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -54.15 -43.33 70.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.63 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mt -66.87 -47.67 81.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.28 -76.66 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.542 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.86 -31.62 50.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.205 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.41 -86.39 0.03 OUTLIER Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' GLY . 3.5 mm-40 -37.91 -42.02 0.58 Allowed 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.066 0.46 . . . . 0.0 110.075 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' SG ' ' NH2' ' A' ' 19' ' ' ARG . 19.0 t -49.87 -83.12 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.069 179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.508 ' NH2' ' SG ' ' A' ' 18' ' ' CYS . 1.4 mmp_? -75.96 18.02 0.29 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.468 -178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 18' ' ' CYS . 11.0 t70 -114.01 -10.21 12.9 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.333 0.395 . . . . 0.0 110.257 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -112.2 -27.13 8.47 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.495 HG23 ' H ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -106.13 -69.73 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.666 179.699 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' H ' HG23 ' A' ' 22' ' ' VAL . 34.6 mmtm -80.68 -133.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.615 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 10.0 t -144.38 -158.82 0.92 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.024 0.44 . . . . 0.0 110.827 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.467 ' N ' ' OG1' ' A' ' 24' ' ' THR . 3.8 m-20 -69.83 -42.32 73.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.3 -45.44 21.6 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -69.55 -45.5 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.744 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.529 ' CZ ' ' SG ' ' A' ' 32' ' ' CYS . 47.7 t80 -48.31 -43.33 32.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.511 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -45.75 75.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.292 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -38.78 81.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.702 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.613 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 2.7 p -72.8 -44.11 61.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 120.794 0.33 . . . . 0.0 110.664 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.613 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 29.6 m -51.09 -36.95 42.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.419 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.5 p -81.84 -46.15 14.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 31' ' ' CYS . 9.3 p -74.35 146.6 42.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.534 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.66 -56.11 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.655 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -41.78 -46.95 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.775 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -63.55 -55.41 24.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.399 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -49.84 -25.39 3.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.611 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -83.08 -32.84 26.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.589 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -83.44 -17.05 43.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.595 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 m -84.33 -54.1 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.088 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' HIS . 3.4 pt20 -52.01 -27.55 13.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.998 0.427 . . . . 0.0 110.511 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -30.17 70.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.636 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mt -75.68 -42.16 51.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.82 ' H ' HD22 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -89.21 -68.73 0.75 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.297 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' GLN . 7.0 p80 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 117.955 -1.021 . . . . 0.0 110.564 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -130.4 -136.5 0.21 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.629 ' N ' HD22 ' A' ' 3' ' ' ASN . 0.0 OUTLIER -158.36 77.12 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.63 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -118.44 -110.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.479 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 3.22 5.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.25 11.84 20.25 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.68 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -82.42 -81.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.544 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.5 m -142.3 167.68 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.714 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.583 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.8 OUTLIER -61.09 -43.38 98.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.549 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 mtm180 -47.55 -47.13 28.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.639 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -63.28 -45.61 90.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.595 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.3 -42.18 90.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.06 -46.07 82.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.94 -77.89 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' O ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -49.43 -33.26 13.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.344 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.53 -83.45 0.05 OUTLIER Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' GLY . 7.1 mt-30 -34.73 -47.28 0.33 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.952 0.406 . . . . 0.0 110.461 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.582 ' SG ' HD23 ' A' ' 45' ' ' LEU . 4.9 m -44.92 -66.06 0.45 Allowed 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.565 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 5.86 8.09 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.982 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.2 -7.23 21.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.543 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -115.36 -0.63 13.1 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.278 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.66 -53.45 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.26 179.603 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -96.55 -137.67 0.26 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.749 0.309 . . . . 0.0 110.543 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 9.5 t -142.85 -165.06 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.9 OUTLIER -66.67 -53.9 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.607 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.07 -23.52 3.89 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.75 -50.74 7.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.717 0.294 . . . . 0.0 110.49 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -47.61 -34.68 8.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.402 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.07 -42.79 66.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.54 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' SER . 4.1 mp0 -72.32 -37.04 69.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.582 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' O ' ' SG ' ' A' ' 15' ' ' CYS . 21.0 t -57.05 -34.3 68.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.574 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -41.47 29.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.621 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 48.0 p -79.92 -15.17 57.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.585 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' GLU . 97.0 p -101.03 133.15 45.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.479 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -83.5 -59.49 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.1 -36.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.662 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -71.64 -55.8 7.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.684 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -46.57 -37.33 7.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.721 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -33.13 71.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.674 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -81.88 -30.25 32.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.521 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' A' ' 44' ' ' LEU . 11.6 t -69.0 -63.69 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -40.5 -39.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.378 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -61.48 -36.87 81.68 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.476 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 41' ' ' CYS . 6.0 mt -72.57 -51.71 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.258 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.582 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.7 mm? -60.9 -51.85 67.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.598 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.505 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.99 88.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.534 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 3' ' ' ASN . 8.2 p30 -166.95 86.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.569 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -116.18 -137.87 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' N ' ' SG ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -74.81 2.64 9.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.603 -179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -102.99 0.76 32.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -80.29 -60.6 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.93 154.61 35.39 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.577 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.34 -33.47 72.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.431 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -58.33 -46.89 85.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.549 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -65.26 -40.9 94.59 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.583 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -60.35 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.713 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.2 mt -61.17 -49.59 84.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.256 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.68 -78.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.57 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -37.13 46.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.613 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.5 -86.86 0.01 OUTLIER Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -42.13 -45.89 4.16 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.734 0.302 . . . . 0.0 110.527 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.502 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 48.8 t -43.21 -42.15 4.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -106.35 -3.74 20.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.869 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.87 -5.58 41.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.339 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -110.75 -10.12 14.47 Favored 'General case' 0 C--O 1.228 -0.05 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.537 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -129.45 -43.44 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.533 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -110.02 -140.97 0.38 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.591 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.401 HG23 ' H ' ' A' ' 26' ' ' GLY . 14.8 t -133.2 -160.1 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.52 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -46.79 68.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.71 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.401 ' H ' HG23 ' A' ' 24' ' ' THR . . . -48.06 -45.52 26.57 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -65.49 -46.81 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.591 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -50.87 -40.3 56.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.602 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.88 -44.6 76.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.681 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.29 -48.57 62.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.632 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 9.8 p -69.0 -43.54 74.64 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-O 120.73 0.3 . . . . 0.0 110.667 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.605 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -50.08 -37.67 34.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.498 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.4 p -80.42 -44.37 19.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.452 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 31' ' ' CYS . 74.8 m -74.72 150.8 39.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.69 -60.89 1.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.522 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 39' ' ' LYS . 8.9 t -41.06 -64.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.626 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -42.1 -58.09 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.639 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.501 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 3.7 t80 -52.9 -31.14 38.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 36' ' ' SER . 29.4 tttt -67.93 -24.43 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -89.62 -41.25 12.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.648 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.31 -53.32 56.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.641 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 8.7 pt20 -48.54 -40.34 26.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.559 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 42' ' ' GLN . 3.4 t0 -56.82 -27.54 60.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.441 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.5 mt -81.0 -58.07 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.419 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.695 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.6 mm? -73.76 -59.36 2.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.716 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 42' ' ' GLN . 1.6 t-80 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.498 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -160.02 39.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.494 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -167.13 104.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.515 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 6' ' ' GLU . 12.2 pttt -147.82 -103.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.421 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 1.7 m -65.44 4.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.657 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' ' 4' ' ' LYS . 5.4 pt-20 -110.36 13.59 22.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.651 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.0 t-20 -79.97 -89.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.04 161.62 36.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.539 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.745 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -63.19 -37.24 86.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.497 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -53.15 -66.56 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.07 0.462 . . . . 0.0 110.656 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.628 ' H ' ' CD ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -49.89 -44.75 50.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.591 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.25 -54.62 44.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.7 mt -56.68 -39.31 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.368 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.89 -70.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.667 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.83 -27.17 68.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.716 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.39 -72.34 0.66 Allowed Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -55.43 -35.34 65.3 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.217 0.532 . . . . 0.0 110.519 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.8 t -52.68 -80.34 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.258 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -54.25 -27.98 38.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.344 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -75.61 -11.24 59.97 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -98.37 -28.95 13.41 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.345 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.91 -62.82 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.752 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.2 mmtt -84.68 -124.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.709 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 7.9 t -148.37 -168.29 3.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.063 0.459 . . . . 0.0 110.621 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.457 ' N ' ' OG1' ' A' ' 24' ' ' THR . 4.2 m-20 -66.47 -40.05 89.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.589 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -52.66 -41.02 56.63 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -68.87 -44.75 72.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.771 0.32 . . . . 0.0 110.337 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -49.49 22.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.395 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.12 -48.55 81.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.483 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' OG1' ' A' ' 33' ' ' THR . 1.7 mt-10 -51.38 -39.25 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.309 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.571 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -68.32 -58.27 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.436 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.571 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -38.98 -34.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.438 . . . . 0.0 110.677 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 30' ' ' GLU . 71.8 p -80.01 -45.13 18.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.471 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 31' ' ' CYS . 1.2 t -84.56 149.69 25.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.13 0.491 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -91.09 -59.91 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.525 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.9 m -40.22 -58.94 1.37 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.657 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.5 m -46.73 -56.12 6.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.637 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.534 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -54.14 -27.83 36.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.462 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -71.32 -21.21 62.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.771 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -89.33 -34.27 16.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.66 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -75.83 -39.2 57.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.557 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 38' ' ' PHE . 9.2 pt20 -54.47 -33.91 60.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.168 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -70.46 -29.21 65.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.95 -53.03 29.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.357 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 45' ' ' LEU . 4.6 mm? -76.89 -47.34 21.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.673 179.729 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -108.55 -141.19 0.38 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -103.76 75.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.558 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -115.99 -126.87 0.29 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.649 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.99 13.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.61 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -112.69 -2.03 14.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.541 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -80.16 -67.99 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.49 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.48 160.9 42.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.623 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -36.13 80.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.487 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mtp85 -53.17 -43.98 67.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.442 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' HG2' ' H ' ' A' ' 11' ' ' ARG . 8.9 mmt180 -69.62 -39.31 77.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.584 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.91 -41.97 99.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.608 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 mt -74.34 -41.42 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.71 -72.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.501 . . . . 0.0 110.608 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 -32.26 67.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.51 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -59.08 -85.38 0.04 OUTLIER Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.491 ' HB2' HD21 ' A' ' 45' ' ' LEU . 3.0 mm-40 -35.23 -47.33 0.4 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 110.728 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.627 ' O ' HG22 ' A' ' 22' ' ' VAL . 47.2 t -42.11 -72.22 0.07 Allowed 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.688 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.598 ' NE ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -70.24 0.42 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.679 0.276 . . . . 0.0 110.815 -178.809 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.66 -10.74 24.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HG2' HG22 ' A' ' 22' ' ' VAL . 10.1 ptmt -111.51 -25.0 9.82 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.508 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.3 OUTLIER -110.91 -52.22 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.256 179.799 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' NZ ' ' CE2' ' A' ' 27' ' ' TYR . 21.8 mmtp -100.06 -124.61 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.828 0.347 . . . . 0.0 110.703 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.51 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.8 t -153.4 -175.4 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.559 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.51 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.2 OUTLIER -66.46 -14.61 62.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.465 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -73.37 -53.92 7.22 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CE2' ' NZ ' ' A' ' 23' ' ' LYS . 4.2 m-85 -64.4 -35.09 79.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.008 0.432 . . . . 0.0 110.574 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -29.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -60.24 -51.64 68.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.493 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -62.44 -27.32 69.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.3 t -70.14 -37.25 75.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.469 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -37.21 60.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.498 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.7 p -80.89 -61.01 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.624 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.7 137.23 58.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.589 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -89.78 -44.63 9.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.628 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 t -56.67 -22.33 33.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.2 m -84.36 -42.48 15.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.64 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -55.29 -46.95 76.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.585 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' N ' ' CD1' ' A' ' 38' ' ' PHE . 3.4 tttp -63.36 -26.02 68.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.32 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.82 -13.76 33.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.044 0.45 . . . . 0.0 110.729 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.499 ' SG ' ' CZ ' ' A' ' 19' ' ' ARG . 0.9 OUTLIER -97.1 -22.47 16.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.648 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -30.94 56.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.4 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -60.37 -40.57 91.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.256 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 44' ' ' LEU . 3.7 mm? -63.71 -52.8 58.94 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 17' ' ' GLN . 1.3 mm? -61.48 -50.0 74.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.67 179.686 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.79 86.27 6.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.608 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -136.21 91.71 2.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.471 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -125.45 -150.7 0.45 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.737 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 0.83 3.23 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.395 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -92.39 3.75 54.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.777 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -80.32 -77.36 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.601 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.83 171.84 13.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mt -69.36 -38.39 78.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.646 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.11 -42.89 73.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.602 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HG2' ' H ' ' A' ' 11' ' ' ARG . 13.2 mmt85 -67.53 -49.41 63.5 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.589 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -53.89 -43.72 69.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.496 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.13 -44.81 87.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.264 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.56 -76.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.691 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.28 -34.08 14.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.141 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' ASP . . . -60.86 -82.57 0.07 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' GLY . 62.9 mm-40 -38.55 -35.96 0.22 Allowed 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 120.687 0.28 . . . . 0.0 110.739 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.483 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 44.5 t -58.32 -49.26 77.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.336 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.445 ' HE ' ' C ' ' A' ' 18' ' ' CYS . 2.7 mmp_? -107.13 7.2 29.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.662 0.268 . . . . 0.0 110.722 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 16' ' ' GLY . 3.1 t70 -103.34 -10.93 18.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.107 179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 -3.72 18.31 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.492 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -132.71 -61.93 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.279 -179.511 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 mmtm -90.91 -144.58 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.7 t -126.66 -172.24 2.59 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.644 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.542 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.2 OUTLIER -60.94 -41.8 96.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.456 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.99 -47.59 32.0 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -64.15 -44.95 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.744 0.307 . . . . 0.0 110.618 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.511 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -56.04 -41.13 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.003 0.43 . . . . 0.0 110.267 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' N ' ' CD2' ' A' ' 28' ' ' PHE . 15.2 t80 -63.95 -42.33 97.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.379 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.8 -44.23 86.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.597 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.567 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 6.5 p -71.52 -40.92 69.81 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 120.738 0.304 . . . . 0.0 110.77 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.567 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -54.16 -38.17 65.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.569 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 58.2 p -81.77 -43.57 18.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.607 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 31' ' ' CYS . 25.4 t -76.6 148.09 37.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.451 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -89.91 -62.58 1.44 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.582 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.88 -58.58 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.711 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -50.29 -49.91 52.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.646 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -60.31 -23.93 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.49 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -72.06 -24.83 61.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.647 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.2 -32.46 22.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.637 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.9 m -70.61 -55.95 7.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.586 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -49.98 -35.47 24.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.38 -33.09 74.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.469 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.01 -48.87 56.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.277 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.77 -56.64 5.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.492 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 . . . . . 0 C--O 1.218 -0.573 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.181 179.908 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' CG ' ' H ' ' A' ' 3' ' ' ASN . 20.2 t70 -103.45 -132.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.4 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 8.7 p-10 -164.55 105.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.585 179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.489 ' CG ' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -157.93 -120.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.601 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.489 ' H ' ' CG ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -71.33 0.38 8.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.592 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -122.15 16.92 10.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.423 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -89.0 -74.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.364 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -135.42 154.81 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.511 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.1 mt -58.69 -35.28 72.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.49 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -60.98 -51.1 70.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.489 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -53.1 -42.96 66.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.431 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -65.88 -48.88 70.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 55.8 mt -59.67 -38.34 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.569 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.82 -70.12 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.657 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.87 -28.43 56.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.479 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLN . . . -60.55 -82.27 0.07 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLY . 4.9 mt-30 -38.71 -44.81 1.04 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.927 0.394 . . . . 0.0 110.688 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.683 ' O ' HG22 ' A' ' 22' ' ' VAL . 27.1 t -45.48 -73.02 0.05 OUTLIER 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.482 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.586 ' NE ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -63.05 -2.61 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.814 0.34 . . . . 0.0 110.332 -179.339 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 18' ' ' CYS . 0.9 OUTLIER -100.39 -9.64 22.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 -179.65 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -113.23 -15.17 12.77 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.372 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.683 HG22 ' O ' ' A' ' 18' ' ' CYS . 2.4 m -124.42 -41.15 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.355 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.49 ' HG2' HG23 ' A' ' 22' ' ' VAL . 23.4 mmtp -110.58 -124.35 0.27 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.71 HG23 ' H ' ' A' ' 26' ' ' GLY . 9.8 t -147.77 168.13 22.93 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -60.18 -10.13 4.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.71 ' H ' HG23 ' A' ' 24' ' ' THR . . . -77.7 -55.05 4.33 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -62.8 -29.7 70.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.727 0.299 . . . . 0.0 110.532 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.513 ' O ' ' SG ' ' A' ' 31' ' ' CYS . 0.7 OUTLIER -43.42 -33.17 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -73.84 -47.11 40.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.579 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.1 -33.73 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.579 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.609 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 1.7 p -71.53 -42.32 68.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 120.743 0.306 . . . . 0.0 110.685 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.609 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -58.53 -33.35 69.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.346 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.6 p -81.9 -51.17 8.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.532 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 m -72.55 146.85 46.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.54 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.51 -63.74 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.671 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.81 -46.59 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.69 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.7 m -63.15 -39.74 95.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.665 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -69.98 -31.47 69.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -68.66 -27.48 66.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.665 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -82.67 -22.93 34.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.723 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.529 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 1.3 m -75.4 -62.05 1.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.489 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.72 -35.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.419 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.0 -35.76 69.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.46 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' CYS . 22.4 mt -72.82 -52.94 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.252 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HA ' HD13 ' A' ' 45' ' ' LEU . 2.1 mm? -58.44 -50.97 71.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.772 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.3 t60 . . . . . 0 C--O 1.218 -0.571 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.62 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -140.74 -133.25 0.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.537 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 m120 53.68 98.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.482 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' A' ' 6' ' ' GLU . 0.1 OUTLIER -132.66 -101.39 0.27 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.553 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.3 m -74.26 23.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.453 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 4' ' ' LYS . 0.4 OUTLIER -129.02 2.4 5.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.436 ' CG ' ' H ' ' A' ' 8' ' ' SER . 14.5 p30 -82.27 -109.44 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.436 ' H ' ' CG ' ' A' ' 7' ' ' ASN . 0.0 OUTLIER -100.56 131.88 46.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.566 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 mp -49.55 -33.58 15.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.607 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.4 mtm-85 -53.62 -33.14 54.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.501 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' N ' ' HE ' ' A' ' 11' ' ' ARG . 4.2 mmp_? -68.23 -60.43 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.664 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -51.08 -38.0 49.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.712 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.85 -45.47 76.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.25 -71.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.756 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -25.94 55.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.356 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.04 -81.1 0.08 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -43.6 -39.51 3.56 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.947 0.403 . . . . 0.0 110.366 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.453 ' SG ' ' NE ' ' A' ' 19' ' ' ARG . 41.2 t -51.46 -59.74 3.91 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.533 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.504 ' CD ' ' SG ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -79.64 4.23 16.67 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.748 -179.495 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.98 -11.47 19.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -108.15 -2.19 19.66 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.216 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -139.32 -54.69 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.794 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.33 -179.676 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -95.6 -138.47 0.24 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.614 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.525 ' OG1' ' N ' ' A' ' 25' ' ' ASP . 1.9 t -137.71 -173.55 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.658 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.525 ' N ' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -62.9 -43.77 97.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.643 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.49 -37.39 60.36 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.08 -42.13 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 110.601 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -50.35 -47.43 56.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 179.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -63.74 -49.49 72.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.455 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -39.74 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.243 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.58 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -69.76 -53.44 18.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.306 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.58 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.1 OUTLIER -39.78 -32.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.564 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.2 p -87.1 -45.56 10.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.47 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.48 ' O ' ' O ' ' A' ' 31' ' ' CYS . 2.8 m -84.71 135.03 34.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.179 0.514 . . . . 0.0 110.8 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 37' ' ' THR . 38.9 t70 -88.41 -44.04 11.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.819 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -59.24 -4.65 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.753 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 35' ' ' ASP . 13.3 m -104.14 -38.64 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.513 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.487 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 9.8 t80 -70.27 -11.99 61.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.463 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -81.16 -23.2 38.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.517 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -89.98 -24.92 21.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.533 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' SG ' ' CD ' ' A' ' 19' ' ' ARG . 1.2 m -78.07 -60.09 2.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.57 HE21 ' C ' ' A' ' 42' ' ' GLN . 0.0 OUTLIER -47.68 -29.2 2.83 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.287 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.0 -32.59 73.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.357 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.2 mt -81.67 -51.55 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.16 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -48.44 70.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.632 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.9 m80 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.864 -1.065 . . . . 0.0 110.601 179.869 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -104.78 56.2 0.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.642 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -122.84 85.84 2.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.588 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -130.1 -110.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.502 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.9 m -73.06 4.87 3.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.617 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.03 5.66 16.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -80.51 -68.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.491 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.52 145.72 49.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.481 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 mt -56.32 -31.04 63.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.441 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -61.72 -46.16 90.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.683 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 -61.01 -43.68 98.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -45.66 82.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.67 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 60.1 mt -61.65 -40.08 85.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.938 0.399 . . . . 0.0 110.049 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.482 ' O ' ' SG ' ' A' ' 41' ' ' CYS . . . -54.12 -67.38 0.27 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.683 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.521 ' SG ' ' O ' ' A' ' 28' ' ' PHE . 3.1 t -57.85 -35.62 71.18 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.286 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -52.87 -81.79 0.05 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HB2' HD21 ' A' ' 45' ' ' LEU . 5.3 mm-40 -40.85 -47.67 2.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.126 0.488 . . . . 0.0 110.474 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.591 ' SG ' HD23 ' A' ' 45' ' ' LEU . 64.0 m -47.58 -84.76 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.628 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' N ' ' HE ' ' A' ' 19' ' ' ARG . 1.4 mmp_? -60.09 -1.18 0.28 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.197 -178.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 18' ' ' CYS . 17.0 t70 -96.89 -12.24 23.72 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.467 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -107.44 -33.49 7.34 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.354 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -70.86 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.65 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -80.54 -147.27 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.725 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.71 HG23 ' H ' ' A' ' 26' ' ' GLY . 9.7 t -111.25 172.28 6.98 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.554 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -73.47 7.09 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.71 ' H ' HG23 ' A' ' 24' ' ' THR . . . -100.15 -16.21 28.4 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' CE1' ' CD ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -90.65 -16.28 28.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.795 0.331 . . . . 0.0 110.585 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 1.6 p90 -52.33 -38.32 58.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.743 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -73.19 -33.99 65.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.848 0.356 . . . . 0.0 110.766 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' CD ' ' CE1' ' A' ' 27' ' ' TYR . 1.9 mt-10 -57.85 -46.66 84.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.843 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.557 ' SG ' ' N ' ' A' ' 32' ' ' CYS . 0.1 OUTLIER -74.24 -43.77 55.74 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.425 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.557 ' N ' ' SG ' ' A' ' 31' ' ' CYS . 0.5 OUTLIER -45.61 -35.95 4.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.879 0.371 . . . . 0.0 110.408 179.712 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 29' ' ' TYR . 67.5 p -82.33 -49.26 10.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.265 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 31' ' ' CYS . 0.3 OUTLIER -71.86 145.94 48.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.528 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -85.53 -59.22 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.65 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.1 t -44.06 -64.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.677 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.4 m -47.09 -48.41 22.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -62.47 -33.31 74.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.621 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -33.88 76.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.592 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -77.94 -32.21 51.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.651 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.482 ' SG ' ' O ' ' A' ' 14' ' ' ALA . 4.0 t -68.47 -65.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.703 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.495 ' NE2' ' OD1' ' A' ' 43' ' ' ASP . 0.8 OUTLIER -44.06 -33.72 1.54 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.474 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.495 ' OD1' ' NE2' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -67.93 -33.85 75.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.278 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' CYS . 3.5 mt -73.16 -49.87 25.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.224 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.591 HD23 ' SG ' ' A' ' 18' ' ' CYS . 1.4 mm? -64.46 -52.24 58.97 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.635 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 C--O 1.219 -0.526 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.507 -179.876 . . . . . . . . 0 0 . 1 stop_ save_