data_2vy4_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 2vy4 _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 ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.817 0.342 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.423 ' CG1' ' CD2' ' A' ' 71' ' ' LEU . 8.7 p -124.88 165.82 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mp -112.17 130.55 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.414 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.542 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 29.8 p . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.214 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.421 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.099 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -117.22 110.72 18.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.45 . . . . 0.0 110.955 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.421 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.7 pmm? -142.37 142.33 23.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.526 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.449 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 8.8 Cg_endo -51.88 140.04 49.09 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.126 1.884 . . . . 0.0 111.65 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -51.76 -23.51 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.451 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 p -99.44 29.86 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.223 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.449 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 13.0 t -146.89 17.53 1.25 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.302 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -59.7 -48.01 83.38 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.62 -45.03 73.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.054 0.454 . . . . 0.0 110.199 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.62 -31.11 71.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.99 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.542 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -73.49 -48.35 34.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.371 179.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.49 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 3.9 mtt -55.45 -39.86 70.84 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.824 0.345 . . . . 0.0 110.441 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.22 -24.69 7.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.233 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 m -114.41 -50.57 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.995 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 51.5 t -65.99 -51.07 61.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -34.42 64.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.99 -37.21 86.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.711 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -77.77 -40.45 40.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.943 0.401 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.414 HG12 ' CD2' ' A' ' 71' ' ' LEU . 7.9 p -113.24 160.36 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 1.6 mp -112.34 141.03 29.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.041 0.448 . . . . 0.0 111.28 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.529 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 29.4 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.04 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.04 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -122.14 110.37 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.995 0.426 . . . . 0.0 111.391 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.453 ' CE ' ' HB3' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -142.72 157.27 62.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.424 179.166 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.89 135.97 64.77 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.218 1.946 . . . . 0.0 111.899 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -51.89 -25.89 9.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.004 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -96.4 25.45 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.796 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -137.11 13.58 3.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -57.46 -45.18 85.06 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 110.277 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.67 -44.84 73.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.229 0.538 . . . . 0.0 110.084 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -64.73 -30.16 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.098 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.529 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -73.71 -48.87 28.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.429 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -58.8 -35.74 73.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.814 0.34 . . . . 0.0 110.184 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.21 -23.02 13.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.706 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -116.62 -53.77 2.49 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.685 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.7 t -60.55 -47.99 83.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.021 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -31.39 59.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.131 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.45 -34.19 76.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.73 -59.98 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.906 0.384 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG1' ' CD2' ' A' ' 71' ' ' LEU . 6.4 p -129.93 166.68 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.385 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.13 132.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.29 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.514 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 23.0 p . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.239 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.549 0.214 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -102.69 110.66 22.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.013 0.435 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.401 ' CE ' ' HB3' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -142.22 150.1 54.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.394 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.52 137.66 48.69 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.213 1.942 . . . . 0.0 112.055 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HA ' HG13 ' A' ' 56' ' ' VAL . 5.5 ttpm? -51.89 -26.04 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.983 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.59 26.96 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.706 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.6 m -135.93 11.94 3.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 HD12 ' CD2' ' A' ' 74' ' ' HIS . 1.2 mm? -55.69 -46.73 77.57 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.765 0.317 . . . . 0.0 110.281 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.76 -45.13 74.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.126 0.488 . . . . 0.0 110.349 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -64.76 -30.73 71.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.258 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.514 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.36 -48.91 25.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.966 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.431 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.65 -34.43 72.81 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.276 -179.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.06 14.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 t -117.13 -51.62 2.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.564 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 36.2 t -63.72 -49.26 73.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -29.96 64.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.08 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -48.59 75.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.795 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -73.26 -35.14 66.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 p -137.1 158.74 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.334 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mp -104.31 137.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.025 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.63 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 4.6 p . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.339 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.806 0.336 . . . . 0.0 111.616 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -122.2 110.53 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.578 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.426 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.5 pmm? -142.17 143.82 29.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.403 ' HG2' ' HB2' ' A' ' 70' ' ' SER . 11.3 Cg_endo -56.44 147.39 68.75 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 121.887 1.725 . . . . 0.0 111.482 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -22.55 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.622 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -102.22 33.54 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.409 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.403 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . 39.0 m -147.95 16.33 1.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.595 0.236 . . . . 0.0 111.533 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD12 ' CD2' ' A' ' 74' ' ' HIS . 1.2 mm? -62.98 -48.04 80.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.843 0.354 . . . . 0.0 110.177 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 75' ' ' MET . . . -54.83 -44.69 74.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.268 0.556 . . . . 0.0 110.143 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -30.05 71.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.217 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.63 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.3 -49.11 24.41 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.07 -35.82 74.03 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.253 -179.237 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.96 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.675 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.8 t -117.68 -52.07 2.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 53.2 t -64.64 -45.97 84.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -75.5 -30.67 59.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.31 -37.84 86.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.676 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -39.09 28.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.67 0.271 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -127.51 163.32 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.327 0.584 . . . . 0.0 112.214 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -110.77 125.95 68.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.636 178.736 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 19.5 p . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.43 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.512 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.132 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -122.26 109.93 15.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.459 ' CE ' ' HB3' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -142.5 157.09 63.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.707 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -59.96 147.59 92.21 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 121.748 1.632 . . . . 0.0 111.633 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.467 ' HA ' HG23 ' A' ' 56' ' ' VAL . 2.6 tttt -51.73 -22.96 3.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.335 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.1 28.6 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.01 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.94 8.81 2.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.964 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.465 ' O ' ' HG3' ' A' ' 75' ' ' MET . 0.9 OUTLIER -59.9 -47.98 83.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.64 -46.71 73.99 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.134 0.492 . . . . 0.0 109.879 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -60.43 -30.23 69.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.456 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.519 ' CE1' ' HB3' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -68.73 -48.62 63.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.123 179.223 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 6.4 mtp -55.47 -42.02 73.77 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.298 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.32 -24.65 4.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.252 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 m -113.76 -51.39 2.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.519 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 49.6 t -66.0 -51.07 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.107 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -71.01 -30.8 67.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.04 -34.19 72.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -32.64 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.418 HG12 ' CD2' ' A' ' 71' ' ' LEU . 7.8 p -124.47 160.44 29.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.067 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 2.1 mp -107.58 133.49 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.7 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.531 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 26.3 p . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.433 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 1.3 t-160 . . . . . 0 CA--C 1.523 -0.058 0 CA-C-O 120.592 0.234 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -106.55 110.9 23.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.987 0.422 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.433 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.6 pmm? -141.35 148.88 52.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.655 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.8 137.37 67.67 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.255 1.97 . . . . 0.0 111.721 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -51.92 -25.95 9.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 m -101.27 26.44 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.641 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.3 m -137.32 12.74 3.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.083 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -57.15 -45.35 83.65 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.218 179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.77 -46.8 74.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.103 0.478 . . . . 0.0 110.084 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -30.15 71.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.283 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.531 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -73.58 -48.77 30.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.427 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.51 -35.61 70.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.055 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.81 -21.52 11.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -118.66 -49.84 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.77 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 41.9 t -66.05 -47.58 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -75.97 -30.17 58.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -40.1 77.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -53.63 7.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.896 0.379 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.425 HG12 ' CD2' ' A' ' 71' ' ' LEU . 7.1 p -141.96 159.26 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.365 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 2.9 mp -103.18 141.1 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.012 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.645 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 8.0 p . . . . . 0 C--N 1.327 -0.403 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.256 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.777 0.323 . . . . 0.0 111.617 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -122.18 110.51 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.568 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.51 154.2 63.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.664 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.21 139.95 72.06 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.024 1.816 . . . . 0.0 111.635 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 55.9 tttt -51.86 -24.05 5.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.394 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.0 t -100.22 31.01 3.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.02 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.02 15.71 2.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.217 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.425 ' CD2' HG12 ' A' ' 56' ' ' VAL . 1.4 mm? -60.59 -46.88 88.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.78 0.324 . . . . 0.0 110.53 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.43 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.241 0.543 . . . . 0.0 109.977 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -30.16 70.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.131 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.645 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.05 -49.19 25.26 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.485 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -60.27 -33.58 72.53 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.149 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.1 -19.47 19.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.8 t -120.06 -50.49 2.26 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 52.1 t -66.09 -44.98 82.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -30.64 55.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.143 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -42.12 65.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -51.32 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.038 -179.9 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG12 ' CD2' ' A' ' 71' ' ' LEU . 7.3 p -127.99 158.92 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.387 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -104.52 122.71 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.908 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.511 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 25.1 p . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.383 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.512 ' HB3' ' HE2' ' A' ' 66' ' ' MET . 1.5 t-160 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.514 0.197 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -122.04 110.46 15.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.953 0.406 . . . . 0.0 111.044 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.512 ' HE2' ' HB3' ' A' ' 64' ' ' HIS . 1.6 pmm? -142.24 152.11 60.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.366 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.45 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 15.3 Cg_endo -58.58 143.81 97.94 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.753 1.635 . . . . 0.0 111.332 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -51.72 -21.35 2.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.667 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -102.1 31.66 3.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.46 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.45 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 47.4 t -146.6 15.05 1.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.554 0.216 . . . . 0.0 111.378 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.434 ' CD2' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -57.99 -45.0 87.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.64 -49.39 70.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.139 0.495 . . . . 0.0 109.995 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -30.43 66.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.353 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -66.23 -48.71 69.68 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.03 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 6.6 mtt -55.23 -42.29 73.21 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.012 0.434 . . . . 0.0 110.155 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.37 -21.72 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.435 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.0 m -117.79 -52.54 2.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.587 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 17.4 t -66.01 -45.01 83.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.05 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -75.91 -37.17 59.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.035 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.7 -40.9 96.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -80.85 -34.57 33.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.081 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.813 0.34 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.03 162.29 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 mp -108.66 139.59 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.0 110.506 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.575 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.8 p . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.183 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.424 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 1.1 t-160 . . . . . 0 CA--C 1.523 -0.067 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -118.89 110.54 17.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.023 0.439 . . . . 0.0 110.806 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.424 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.6 pmm? -142.51 154.72 63.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.438 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.98 136.66 76.48 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.172 1.915 . . . . 0.0 111.697 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -51.86 -26.69 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t -96.58 20.05 11.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -127.93 5.96 6.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -54.36 -30.23 51.02 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.999 0.428 . . . . 0.0 110.475 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.92 -42.08 81.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.834 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -46.12 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.358 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.575 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -63.33 -48.88 76.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.066 0.46 . . . . 0.0 110.103 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.482 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 4.1 ttm -57.48 -40.46 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.993 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.13 -21.0 29.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.121 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 t -114.83 -58.58 2.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.3 t -57.87 -44.32 86.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.414 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.4 OUTLIER -75.32 -27.15 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.164 -179.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.98 -31.06 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.844 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -86.83 -54.76 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.865 0.364 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.435 ' CG1' ' HA ' ' A' ' 68' ' ' LYS . 12.6 p -124.79 161.53 28.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.255 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.4 mt -109.6 139.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.5 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 28.9 p . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.068 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.47 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 1.1 t-160 . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -110.05 110.56 21.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 111.862 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -142.43 157.04 63.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.547 178.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.52 135.01 60.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.3 2.0 . . . . 0.0 111.984 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.435 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 21.7 tttm -51.96 -25.72 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.245 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.07 29.65 3.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.828 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 p -141.6 14.43 2.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.465 ' CD1' ' CD2' ' A' ' 74' ' ' HIS . 1.0 OUTLIER -56.96 -43.31 81.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.251 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.75 -46.28 74.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.159 0.504 . . . . 0.0 110.09 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -64.03 -30.22 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.137 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.5 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -72.7 -48.89 35.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.58 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -58.67 -35.48 72.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.823 0.344 . . . . 0.0 110.087 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.6 -23.51 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.746 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.7 t -115.87 -51.86 2.64 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.651 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.9 t -63.57 -46.54 85.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -38.97 36.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -65.19 -30.93 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -86.71 -38.46 16.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.9 tptt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.931 0.396 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' CD2' ' A' ' 71' ' ' LEU . 8.1 p -92.97 168.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.591 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.55 109.45 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.903 0.383 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.857 ' SG ' ' HB3' ' A' ' 64' ' ' HIS . 14.6 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.709 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.857 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 9.4 t-80 . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 73.0 m80 -102.22 127.06 49.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.125 0.488 . . . . 0.0 112.048 -178.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.429 ' CE ' ' ND1' ' A' ' 64' ' ' HIS . 1.6 pmm? -142.19 157.17 64.01 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.496 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.25 137.47 38.32 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.206 1.937 . . . . 0.0 111.852 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -51.75 -26.9 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.163 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 m -99.68 27.03 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -134.06 9.12 3.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.578 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.478 ' CD1' ' CD2' ' A' ' 74' ' ' HIS . 1.5 mm? -54.76 -48.23 72.89 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 120.761 0.315 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.93 -50.84 67.86 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -60.92 -30.04 69.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.179 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -73.26 -48.57 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.744 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.473 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 0.9 OUTLIER -55.53 -39.37 70.45 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 110.256 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.09 -21.9 9.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.324 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 m -119.16 -51.73 2.32 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 16.6 t -64.99 -43.88 91.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.046 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -76.02 -38.99 56.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.057 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.25 -44.46 95.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -52.94 14.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.027 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.899 0.38 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 71' ' ' LEU . 2.4 p -135.99 151.57 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -111.53 122.75 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.918 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 p . . . . . 0 C--N 1.33 -0.282 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.543 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 2.0 m170 . . . . . 0 CA--C 1.518 -0.277 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -122.13 109.92 15.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.378 0.609 . . . . 0.0 110.442 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -142.72 157.52 61.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.457 -179.713 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.14 151.72 16.21 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 121.792 1.661 . . . . 0.0 111.343 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -51.77 -23.44 4.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.357 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -100.01 34.01 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.026 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -136.52 7.55 3.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.181 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 56' ' ' VAL . 3.3 mm? -61.98 -48.02 82.21 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 120.645 0.26 . . . . 0.0 110.552 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.56 -47.42 73.25 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.089 0.471 . . . . 0.0 109.869 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -30.11 70.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.455 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.481 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -68.98 -48.82 62.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.22 179.356 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 4.5 mtp -55.57 -41.27 73.06 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.834 0.35 . . . . 0.0 110.185 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.95 -22.52 3.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.324 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -116.59 -50.06 2.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 25.1 t -66.04 -50.97 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.297 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.61 -39.05 46.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.289 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -34.21 77.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.163 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -81.4 -51.13 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.022 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 65' ' ' HIS . 4.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.861 0.363 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG12 ' CD2' ' A' ' 71' ' ' LEU . 8.9 p -122.84 159.5 26.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.146 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.72 141.04 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.38 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.509 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.6 p . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.083 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.438 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.668 0.27 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.413 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 11.7 m170 -100.06 110.84 23.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.985 0.421 . . . . 0.0 111.067 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.438 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.1 pmm? -137.92 150.13 66.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.649 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.77 136.82 73.08 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.291 1.994 . . . . 0.0 111.842 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.75 -26.36 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.9 t -102.14 26.47 7.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.638 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -137.05 13.58 3.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -58.29 -46.26 86.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.814 0.34 . . . . 0.0 110.343 179.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.442 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.7 -47.62 73.47 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.15 0.5 . . . . 0.0 110.141 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -62.21 -30.19 70.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.368 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.509 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -73.71 -48.73 29.83 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.442 ' HG3' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -56.0 -37.25 68.88 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.366 . . . . 0.0 110.177 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.14 -22.73 11.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.959 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -117.75 -50.93 2.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.3 t -66.01 -45.5 81.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -28.88 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -43.36 74.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -78.64 -45.82 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.857 0.361 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.411 HG12 ' CD2' ' A' ' 71' ' ' LEU . 7.1 p -122.59 159.57 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mp -106.22 133.48 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.535 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 27.3 p . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.129 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.427 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 1.2 t-160 . . . . . 0 CA--C 1.523 -0.069 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -113.19 110.76 20.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.004 0.43 . . . . 0.0 110.992 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.427 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.6 pmm? -141.29 154.54 67.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.615 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 137.58 82.57 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.246 1.964 . . . . 0.0 111.717 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -51.94 -25.78 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -102.62 26.55 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.4 m -136.83 12.79 3.14 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CD1' ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -56.93 -46.37 82.09 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.837 0.351 . . . . 0.0 110.411 179.757 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.97 73.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.066 0.46 . . . . 0.0 110.218 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -61.96 -30.27 70.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.108 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.535 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -73.6 -48.47 32.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.453 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 3.2 mtt -55.41 -39.87 70.74 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.794 0.33 . . . . 0.0 110.285 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.82 -24.4 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.103 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.9 t -115.26 -50.51 2.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.1 t -66.01 -50.22 65.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.933 0.397 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -73.6 -39.01 64.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.129 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.46 -31.66 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -83.69 -34.59 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.33 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG12 ' CD2' ' A' ' 71' ' ' LEU . 9.4 p -128.88 160.5 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -109.78 135.37 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.972 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.618 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 8.9 p . . . . . 0 C--N 1.326 -0.44 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.226 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.448 0.166 . . . . 0.0 111.341 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -117.56 109.93 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.035 0.445 . . . . 0.0 110.248 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.84 157.19 61.89 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.54 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.98 136.24 75.53 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.019 1.813 . . . . 0.0 111.433 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -51.79 -24.17 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.23 21.03 8.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.103 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -131.03 8.32 4.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -56.06 -29.04 59.9 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.914 0.388 . . . . 0.0 110.402 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.39 -42.73 78.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.874 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -68.4 -45.44 72.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.211 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.618 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -64.16 -48.85 74.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.14 0.495 . . . . 0.0 110.266 179.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.491 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 1.9 ttm -57.35 -39.94 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.127 -179.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.0 -18.76 26.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.402 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 t -117.39 -55.75 2.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.852 0.358 . . . . 0.0 111.133 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.464 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.9 t -61.18 -43.88 98.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.429 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.0 OUTLIER -77.68 -26.66 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.154 -179.626 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -36.26 60.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.76 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -78.72 -44.58 23.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.401 HG12 ' CD2' ' A' ' 71' ' ' LEU . 8.3 p -117.84 155.58 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 3.6 mp -102.35 140.95 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.488 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.624 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 5.9 p . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.042 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.715 0.293 . . . . 0.0 111.614 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.421 ' CD2' HG13 ' A' ' 57' ' ' ILE . 14.7 m170 -122.15 110.32 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.564 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.401 ' HE2' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -142.5 157.11 63.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.695 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.35 142.56 68.73 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.316 2.011 . . . . 0.0 111.781 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -51.89 -25.38 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -102.15 29.19 5.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.1 m -135.73 11.65 3.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.003 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 74' ' ' HIS . 1.8 mm? -60.96 -46.11 92.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.71 -45.92 74.09 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.21 0.529 . . . . 0.0 110.066 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -64.17 -30.11 71.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.101 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.624 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -72.86 -49.03 32.51 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.484 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.2 -35.48 73.67 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.781 0.324 . . . . 0.0 110.127 -179.427 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.79 -20.15 13.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.772 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -119.24 -50.5 2.35 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.005 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.4 t -66.07 -46.67 76.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -76.86 -31.61 56.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.086 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.81 -36.79 81.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -43.39 22.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.917 0.389 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.421 HG12 HD23 ' A' ' 71' ' ' LEU . 3.6 p -121.91 169.07 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.49 127.85 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.453 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.582 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.2 p . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.33 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.44 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 1.5 t-160 . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.514 0.197 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -104.65 110.79 23.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.989 0.423 . . . . 0.0 110.849 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.44 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.5 pmm? -142.19 151.79 59.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.691 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -56.35 137.11 78.94 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.081 1.854 . . . . 0.0 111.782 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -51.84 -26.61 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -97.03 20.31 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.843 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -127.85 6.7 6.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.808 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -56.01 -31.31 62.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.962 0.411 . . . . 0.0 110.514 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.32 85.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.807 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -46.85 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.409 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.582 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -62.64 -48.98 76.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.131 0.491 . . . . 0.0 110.194 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 6.8 ttm -58.56 -39.45 80.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.961 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.75 -19.45 27.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.093 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -116.58 -57.37 2.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.904 0.383 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.9 t -58.56 -45.17 89.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.42 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.3 OUTLIER -74.74 -28.34 60.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 -179.79 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -31.7 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.8 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -42.18 21.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.75 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.729 0.299 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.421 HG23 ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -121.5 173.36 7.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.402 0.62 . . . . 0.0 111.886 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -120.03 132.72 68.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.152 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.525 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 31.5 p . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.074 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.411 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.075 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -105.97 110.84 23.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.867 0.365 . . . . 0.0 111.037 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.416 ' CE ' ' HB3' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -142.19 148.13 46.81 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.047 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.02 138.24 70.19 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.375 2.05 . . . . 0.0 111.973 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HA ' HG23 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -51.94 -24.1 5.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.473 -179.711 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 m -94.03 25.12 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -143.56 15.12 1.8 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.348 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.483 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -58.02 -47.98 81.43 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.18 71.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.229 0.537 . . . . 0.0 109.98 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -66.25 -30.13 70.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.175 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.525 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.16 -48.97 25.79 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.388 179.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.44 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -60.23 -32.83 71.5 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.98 -21.17 28.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.623 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 t -118.23 -50.74 2.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.515 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.6 t -63.89 -47.87 78.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -28.27 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.1 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -31.39 22.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.813 0.339 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.434 HG12 HD22 ' A' ' 71' ' ' LEU . 3.3 p -123.34 167.72 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.255 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 mt -114.16 137.02 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.309 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.567 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 27.3 p . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.407 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -122.05 110.5 15.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.895 0.379 . . . . 0.0 110.671 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.56 152.62 60.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 18.6 Cg_endo -60.71 139.45 85.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 121.891 1.727 . . . . 0.0 111.573 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -23.01 3.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.394 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -94.39 22.68 5.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.162 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.448 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 40.8 t -137.7 11.37 2.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.397 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -58.58 -30.84 67.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.896 0.379 . . . . 0.0 110.246 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.92 -38.97 79.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.794 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -71.15 -47.31 58.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.217 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.567 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -61.96 -48.81 78.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.12 0.486 . . . . 0.0 109.993 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.482 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 3.6 ttm -57.76 -42.69 84.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.971 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.25 -22.12 16.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.266 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -113.89 -57.45 2.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 43.2 t -58.56 -48.26 81.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.424 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.0 OUTLIER -69.26 -34.77 75.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.905 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -31.9 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.746 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -44.4 45.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.704 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.767 0.318 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG12 ' CD2' ' A' ' 71' ' ' LEU . 7.6 p -131.29 158.39 43.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.431 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -107.91 133.34 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.046 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.595 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 2.2 p . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.466 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.507 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 1.2 t-160 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.529 0.204 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -122.0 110.21 15.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.942 0.401 . . . . 0.0 111.059 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.433 ' HE1' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -142.58 155.0 63.83 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.281 179.453 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.403 ' HG2' ' HB2' ' A' ' 70' ' ' SER . 10.5 Cg_endo -55.09 138.67 79.3 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.05 1.833 . . . . 0.0 111.407 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -51.82 -23.0 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.553 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.0 33.98 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.311 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.403 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . 71.2 m -149.41 18.34 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.565 0.221 . . . . 0.0 111.457 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.439 ' CD1' ' CD2' ' A' ' 74' ' ' HIS . 1.3 mm? -60.23 -44.39 95.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.878 0.37 . . . . 0.0 110.174 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.78 -46.04 74.38 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.162 0.506 . . . . 0.0 110.003 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -31.71 72.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.128 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.595 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -70.73 -48.99 51.63 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.465 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.49 -37.67 73.32 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 110.291 -179.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.42 -22.39 12.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.1 t -117.15 -50.97 2.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.244 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.0 t -66.12 -45.65 80.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -36.89 45.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 tp -69.09 -29.74 67.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.047 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -86.45 -47.96 8.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.992 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.928 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -98.94 29.64 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -105.28 166.62 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.808 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -103.07 154.53 19.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.9 137.47 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.778 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.423 ' CG1' ' CD2' ' A' ' 71' ' ' LEU . 8.7 p -124.88 165.82 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mp -112.17 130.55 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.414 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.542 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 29.8 p -82.46 145.06 50.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.214 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.77 13.5 2.59 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.705 2.27 . . . . 0.0 112.178 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -102.5 -28.22 12.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -124.66 -39.5 2.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.024 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.4 t 86.75 -44.81 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -97.63 40.73 1.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.234 0.54 . . . . 0.0 110.327 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.421 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 0.9 OUTLIER -117.1 131.53 56.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.288 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -117.22 110.72 18.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.45 . . . . 0.0 110.955 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.421 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.7 pmm? -142.37 142.33 23.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.526 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.449 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 8.8 Cg_endo -51.88 140.04 49.09 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.126 1.884 . . . . 0.0 111.65 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -51.76 -23.51 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.451 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 p -99.44 29.86 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.223 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.449 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 13.0 t -146.89 17.53 1.25 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.302 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -59.7 -48.01 83.38 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.62 -45.03 73.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.054 0.454 . . . . 0.0 110.199 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.62 -31.11 71.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.99 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.542 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -73.49 -48.35 34.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.371 179.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.49 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 3.9 mtt -55.45 -39.86 70.84 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.824 0.345 . . . . 0.0 110.441 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.22 -24.69 7.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.233 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 m -114.41 -50.57 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.995 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 51.5 t -65.99 -51.07 61.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -34.42 64.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.99 -37.21 86.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.711 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -77.77 -40.45 40.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -36.54 84.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 6.3 tpt -84.87 158.49 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.65 -97.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.04 77.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.54 149.6 20.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.31 33.59 18.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.996 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.77 -43.15 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -121.57 157.07 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.784 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.7 111.95 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.414 HG12 ' CD2' ' A' ' 71' ' ' LEU . 7.9 p -113.24 160.36 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 1.6 mp -112.34 141.03 29.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.041 0.448 . . . . 0.0 111.28 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.529 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 29.4 p -91.38 146.94 34.35 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.04 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -84.53 13.94 2.6 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -101.24 -34.42 9.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.755 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.5 t70 -119.2 -37.38 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.5 t 85.98 -44.49 0.05 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.293 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.73 39.95 1.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.221 0.534 . . . . 0.0 110.666 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -117.11 126.28 52.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.315 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -122.14 110.37 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.995 0.426 . . . . 0.0 111.391 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.453 ' CE ' ' HB3' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -142.72 157.27 62.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.424 179.166 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.89 135.97 64.77 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.218 1.946 . . . . 0.0 111.899 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -51.89 -25.89 9.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.004 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -96.4 25.45 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.796 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -137.11 13.58 3.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -57.46 -45.18 85.06 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 110.277 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.67 -44.84 73.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.229 0.538 . . . . 0.0 110.084 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -64.73 -30.16 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.098 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.529 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -73.71 -48.87 28.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.429 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -58.8 -35.74 73.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.814 0.34 . . . . 0.0 110.184 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.21 -23.02 13.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.706 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -116.62 -53.77 2.49 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.685 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.7 t -60.55 -47.99 83.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.021 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -31.39 59.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.131 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.45 -34.19 76.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.73 -59.98 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -41.7 98.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 57.8 mtp 60.28 -175.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.43 148.16 12.29 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.656 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -34.36 70.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.1 m -109.36 133.12 53.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 tttp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.871 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.8 m -100.13 -31.21 11.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.362 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -113.91 66.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -92.07 142.0 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -85.62 143.02 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG1' ' CD2' ' A' ' 71' ' ' LEU . 6.4 p -129.93 166.68 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.385 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.13 132.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.29 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.514 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 23.0 p -87.52 145.3 37.05 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.239 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -83.21 12.38 2.98 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.818 2.345 . . . . 0.0 112.335 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -99.47 -33.25 10.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -121.77 -36.24 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.098 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.2 t 86.02 -46.15 0.06 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.102 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -96.14 41.24 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.151 0.501 . . . . 0.0 110.541 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -117.12 110.19 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.584 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -102.69 110.66 22.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.013 0.435 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.401 ' CE ' ' HB3' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -142.22 150.1 54.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.394 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.52 137.66 48.69 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.213 1.942 . . . . 0.0 112.055 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HA ' HG13 ' A' ' 56' ' ' VAL . 5.5 ttpm? -51.89 -26.04 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.983 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.59 26.96 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.706 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.6 m -135.93 11.94 3.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 HD12 ' CD2' ' A' ' 74' ' ' HIS . 1.2 mm? -55.69 -46.73 77.57 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.765 0.317 . . . . 0.0 110.281 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.76 -45.13 74.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.126 0.488 . . . . 0.0 110.349 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -64.76 -30.73 71.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.258 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.514 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.36 -48.91 25.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.966 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.431 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.65 -34.43 72.81 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.276 -179.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.06 14.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 t -117.13 -51.62 2.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.564 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 36.2 t -63.72 -49.26 73.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -29.96 64.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.08 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -48.59 75.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.795 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -73.26 -35.14 66.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -36.01 73.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.67 173.24 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.01 -162.08 49.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -98.65 31.54 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.74 109.72 9.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 mttp . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.925 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 m -135.23 110.68 9.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -98.86 31.29 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -74.53 157.02 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.98 142.97 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 p -137.1 158.74 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.334 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mp -104.31 137.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.025 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.63 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 4.6 p -69.47 138.81 88.94 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.339 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -63.77 -13.03 34.53 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.873 2.382 . . . . 0.0 112.588 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.44 ' CE2' ' HG3' ' A' ' 79' ' ' ARG . 66.7 m-85 -71.44 -6.81 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.44 109.49 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.851 0.358 . . . . 0.0 111.22 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.99 33.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 42.48 44.85 3.67 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 110.746 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 1.0 OUTLIER -98.32 137.3 37.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.616 -179.226 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -122.2 110.53 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.578 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.426 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.5 pmm? -142.17 143.82 29.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.403 ' HG2' ' HB2' ' A' ' 70' ' ' SER . 11.3 Cg_endo -56.44 147.39 68.75 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 121.887 1.725 . . . . 0.0 111.482 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -22.55 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.622 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -102.22 33.54 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.409 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.403 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . 39.0 m -147.95 16.33 1.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.595 0.236 . . . . 0.0 111.533 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.428 HD12 ' CD2' ' A' ' 74' ' ' HIS . 1.2 mm? -62.98 -48.04 80.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.843 0.354 . . . . 0.0 110.177 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 75' ' ' MET . . . -54.83 -44.69 74.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.268 0.556 . . . . 0.0 110.143 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -30.05 71.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.217 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.63 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.3 -49.11 24.41 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.07 -35.82 74.03 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.253 -179.237 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.96 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.675 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.8 t -117.68 -52.07 2.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 53.2 t -64.64 -45.97 84.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.44 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 4.7 ttp180 -75.5 -30.67 59.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.31 -37.84 86.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.676 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -39.09 28.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -64.33 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -66.4 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.59 -86.73 1.51 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.575 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 61.05 104.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.5 p -137.01 75.77 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.936 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.4 103.18 7.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.822 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -83.34 136.23 34.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 67' ' ' PRO . 14.0 mt-10 -62.07 157.04 19.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.19 137.35 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.704 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -127.51 163.32 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.327 0.584 . . . . 0.0 112.214 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -110.77 125.95 68.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.636 178.736 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 19.5 p -77.11 131.27 73.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.43 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -73.55 3.09 5.1 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.178 1.918 . . . . 0.0 111.151 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.455 ' N ' ' HD2' ' A' ' 60' ' ' TYR . 1.1 m-85 -70.1 -11.62 61.01 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.346 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 74.21 95.6 0.07 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.766 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ASN . 1.1 m 173.88 31.06 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' SER . 28.8 m120 34.48 70.03 0.14 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.02 0.438 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.512 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -116.39 133.01 56.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.046 -178.429 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -122.26 109.93 15.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.459 ' CE ' ' HB3' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -142.5 157.09 63.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.707 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 30.7 Cg_exo -59.96 147.59 92.21 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 121.748 1.632 . . . . 0.0 111.633 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.467 ' HA ' HG23 ' A' ' 56' ' ' VAL . 2.6 tttt -51.73 -22.96 3.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.335 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.1 28.6 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.01 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.94 8.81 2.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.964 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.465 ' O ' ' HG3' ' A' ' 75' ' ' MET . 0.9 OUTLIER -59.9 -47.98 83.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.64 -46.71 73.99 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.134 0.492 . . . . 0.0 109.879 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -60.43 -30.23 69.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.456 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.519 ' CE1' ' HB3' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -68.73 -48.62 63.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.123 179.223 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 6.4 mtp -55.47 -42.02 73.77 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.298 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.32 -24.65 4.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.252 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 m -113.76 -51.39 2.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.519 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 49.6 t -66.0 -51.07 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.107 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.434 ' HG3' ' CD1' ' A' ' 60' ' ' TYR . 5.9 ttt180 -71.01 -30.8 67.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.04 -34.19 72.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -32.64 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -68.06 -44.13 77.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -98.35 29.33 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -110.9 75.78 0.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 61.95 158.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.83 -62.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 m -70.08 -42.36 72.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.351 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -93.33 96.04 9.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -97.29 148.06 23.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 t -123.55 141.38 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.418 HG12 ' CD2' ' A' ' 71' ' ' LEU . 7.8 p -124.47 160.44 29.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.067 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 2.1 mp -107.58 133.49 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.7 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.531 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 26.3 p -82.96 145.62 50.12 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.049 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -83.94 18.88 1.45 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.726 2.284 . . . . 0.0 112.566 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -107.69 -30.33 8.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.907 0.384 . . . . 0.0 110.75 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 62' ' ' SER . 27.6 t0 -121.85 -37.43 2.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.273 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 3.4 t 87.07 -46.74 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.944 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -96.96 41.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.168 0.509 . . . . 0.0 110.632 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.433 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 1.3 t-160 -117.2 119.91 36.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.429 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -106.55 110.9 23.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.987 0.422 . . . . 0.0 111.007 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.433 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.6 pmm? -141.35 148.88 52.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.655 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.8 137.37 67.67 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.255 1.97 . . . . 0.0 111.721 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -51.92 -25.95 9.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 m -101.27 26.44 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.641 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.3 m -137.32 12.74 3.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.083 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -57.15 -45.35 83.65 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.218 179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.77 -46.8 74.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.103 0.478 . . . . 0.0 110.084 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -30.15 71.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.283 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.531 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -73.58 -48.77 30.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.427 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.51 -35.61 70.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.055 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.81 -21.52 11.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -118.66 -49.84 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.77 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.488 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 41.9 t -66.05 -47.58 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -75.97 -30.17 58.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -40.1 77.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -53.63 7.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.414 ' HG2' ' CD1' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -64.09 -57.5 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.8 tpt 59.88 30.55 20.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.39 -36.24 1.74 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.549 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.414 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 1.8 t80 60.86 174.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.293 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.0 m 64.03 155.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.881 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -175.7 91.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.11 158.23 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -128.54 110.49 12.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.35 143.05 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.008 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.425 HG12 ' CD2' ' A' ' 71' ' ' LEU . 7.1 p -141.96 159.26 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.365 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 2.9 mp -103.18 141.1 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.012 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.645 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 8.0 p -78.93 137.12 57.64 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.256 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -61.73 -12.93 27.43 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.809 2.339 . . . . 0.0 112.584 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.467 ' CZ ' ' HG3' ' A' ' 79' ' ' ARG . 73.4 m-85 -72.83 -4.82 34.09 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.116 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 58.42 110.64 0.01 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 111.572 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.65 33.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.318 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 42.29 43.04 2.81 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.293 0.568 . . . . 0.0 110.528 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 0.2 OUTLIER -95.79 129.82 42.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.617 -179.098 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -122.18 110.51 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.568 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.51 154.2 63.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.664 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.21 139.95 72.06 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.024 1.816 . . . . 0.0 111.635 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 55.9 tttt -51.86 -24.05 5.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.394 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.0 t -100.22 31.01 3.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.02 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.02 15.71 2.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.217 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.425 ' CD2' HG12 ' A' ' 56' ' ' VAL . 1.4 mm? -60.59 -46.88 88.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.78 0.324 . . . . 0.0 110.53 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.43 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.241 0.543 . . . . 0.0 109.977 179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -30.16 70.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.131 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.645 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.05 -49.19 25.26 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.485 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -60.27 -33.58 72.53 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.149 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.1 -19.47 19.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.8 t -120.06 -50.49 2.26 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 52.1 t -66.09 -44.98 82.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.467 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -77.1 -30.64 55.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.143 -179.708 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -42.12 65.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -51.32 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -71.24 -58.61 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.038 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 ttp 62.49 149.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.99 40.33 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.544 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -116.36 -39.67 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.58 153.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.5 m -118.53 28.83 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.78 83.51 1.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -85.38 157.12 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.022 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.59 134.09 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.475 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG12 ' CD2' ' A' ' 71' ' ' LEU . 7.3 p -127.99 158.92 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.387 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -104.52 122.71 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.908 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.511 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 25.1 p -64.08 133.92 95.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.383 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -77.09 8.9 2.98 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.493 2.129 . . . . 0.0 111.928 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.452 ' CZ ' ' HG2' ' A' ' 75' ' ' MET . 2.8 m-30 -76.52 -0.37 22.85 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.206 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.9 OUTLIER 83.49 90.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.688 179.172 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 1.1 m 160.91 138.14 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.696 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -67.95 66.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.325 0.583 . . . . 0.0 110.011 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.512 ' HB3' ' HE2' ' A' ' 66' ' ' MET . 1.5 t-160 -100.53 137.19 39.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.838 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -122.04 110.46 15.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.953 0.406 . . . . 0.0 111.044 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.512 ' HE2' ' HB3' ' A' ' 64' ' ' HIS . 1.6 pmm? -142.24 152.11 60.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.366 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.45 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 15.3 Cg_endo -58.58 143.81 97.94 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.753 1.635 . . . . 0.0 111.332 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -51.72 -21.35 2.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.667 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -102.1 31.66 3.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.46 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.45 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 47.4 t -146.6 15.05 1.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.554 0.216 . . . . 0.0 111.378 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' CD2' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -57.99 -45.0 87.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.64 -49.39 70.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.139 0.495 . . . . 0.0 109.995 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -30.43 66.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.353 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.586 ' CE1' ' HB3' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -66.23 -48.71 69.68 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.03 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 6.6 mtt -55.23 -42.29 73.21 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.012 0.434 . . . . 0.0 110.155 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.37 -21.72 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.435 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.0 m -117.79 -52.54 2.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.586 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 17.4 t -66.01 -45.01 83.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.05 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.43 ' HG3' ' CD1' ' A' ' 60' ' ' TYR . 9.5 ttt180 -75.91 -37.17 59.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.7 -40.9 96.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -80.85 -34.57 33.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -71.56 -35.0 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.2 mmm 62.1 161.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -120.52 130.67 8.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.54 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.89 -49.74 5.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.7 p -150.12 149.7 30.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.8 tptt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.884 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m 63.3 141.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.947 0.403 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -150.74 -66.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.789 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -93.36 157.06 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.754 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.01 114.6 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.077 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.03 162.29 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 mp -108.66 139.59 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.0 110.506 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.575 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.8 p -92.95 144.13 27.95 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.183 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 88.2 Cg_endo -83.18 12.8 2.84 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' A' ' 75' ' ' MET . 3.4 m-85 -103.63 -27.05 12.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.493 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -123.21 -35.73 2.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 179.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 3.9 t 83.08 -51.4 0.16 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -95.0 42.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.248 0.547 . . . . 0.0 110.532 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.424 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 1.1 t-160 -117.11 132.76 56.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.274 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -118.89 110.54 17.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.023 0.439 . . . . 0.0 110.806 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.424 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.6 pmm? -142.51 154.72 63.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.438 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.98 136.66 76.48 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.172 1.915 . . . . 0.0 111.697 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -51.86 -26.69 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t -96.58 20.05 11.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -127.93 5.96 6.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -54.36 -30.23 51.02 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.999 0.428 . . . . 0.0 110.475 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.92 -42.08 81.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.834 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -46.12 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.358 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.575 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -63.33 -48.88 76.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.066 0.46 . . . . 0.0 110.103 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.482 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 4.1 ttm -57.48 -40.46 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.993 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.13 -21.0 29.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.121 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 t -114.83 -58.58 2.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.3 t -57.87 -44.32 86.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.414 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.4 OUTLIER -75.32 -27.15 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.164 -179.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.98 -31.06 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.844 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -86.83 -54.76 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -42.17 74.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.2 mtp 61.53 112.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.48 135.3 11.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.524 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.99 172.3 6.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 110.815 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.3 p -143.26 162.78 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.1 mttp . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.895 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -108.85 -55.33 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -97.52 107.88 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -111.04 154.34 24.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -124.49 143.07 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.99 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.435 ' CG1' ' HA ' ' A' ' 68' ' ' LYS . 12.6 p -124.79 161.53 28.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.255 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.4 mt -109.6 139.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.5 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 28.9 p -91.28 145.99 32.57 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.068 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.38 15.61 2.07 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -102.85 -34.75 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 62' ' ' SER . 1.0 OUTLIER -119.91 -35.83 3.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.323 -179.766 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.0 t 86.2 -47.47 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.105 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -95.77 41.1 1.1 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.291 0.567 . . . . 0.0 110.544 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.47 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 1.1 t-160 -117.12 114.95 24.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.056 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -110.05 110.56 21.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 111.862 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -142.43 157.04 63.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.547 178.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.52 135.01 60.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.3 2.0 . . . . 0.0 111.984 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.435 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 21.7 tttm -51.96 -25.72 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.245 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.07 29.65 3.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.828 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 p -141.6 14.43 2.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.465 ' CD1' ' CD2' ' A' ' 74' ' ' HIS . 1.0 OUTLIER -56.96 -43.31 81.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.251 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.75 -46.28 74.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.159 0.504 . . . . 0.0 110.09 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -64.03 -30.22 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.137 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.5 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -72.7 -48.89 35.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.58 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -58.67 -35.48 72.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.823 0.344 . . . . 0.0 110.087 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.6 -23.51 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.746 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.7 t -115.87 -51.86 2.64 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.651 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.9 t -63.57 -46.54 85.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -38.97 36.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -65.19 -30.93 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -86.71 -38.46 16.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -72.13 -57.43 4.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 127.05 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 88.01 28.47 23.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -126.6 -45.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.6 p -136.77 -47.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.934 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.9 p -117.91 30.46 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.25 21.63 2.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.98 156.5 48.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.3 118.29 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.466 ' CG1' ' CD2' ' A' ' 71' ' ' LEU . 8.1 p -92.97 168.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.591 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.55 109.45 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.903 0.383 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.857 ' SG ' ' HB3' ' A' ' 64' ' ' HIS . 14.6 p -71.26 136.3 84.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.709 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -87.69 33.97 0.41 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.824 2.35 . . . . 0.0 112.277 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -114.07 -37.49 4.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.69 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -23.61 13.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.025 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p 78.36 1.05 2.65 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.647 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -167.23 35.19 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.388 0.613 . . . . 0.0 110.683 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.857 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 9.4 t-80 -117.32 107.58 14.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.768 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.402 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 73.0 m80 -102.22 127.06 49.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.125 0.488 . . . . 0.0 112.048 -178.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.429 ' CE ' ' ND1' ' A' ' 64' ' ' HIS . 1.6 pmm? -142.19 157.17 64.01 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.496 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.25 137.47 38.32 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.206 1.937 . . . . 0.0 111.852 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -51.75 -26.9 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.163 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 m -99.68 27.03 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -134.06 9.12 3.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.578 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.478 ' CD1' ' CD2' ' A' ' 74' ' ' HIS . 1.5 mm? -54.76 -48.23 72.89 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 120.761 0.315 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.93 -50.84 67.86 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -60.92 -30.04 69.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.179 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -73.26 -48.57 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.744 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.473 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 0.9 OUTLIER -55.53 -39.37 70.45 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 110.256 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.09 -21.9 9.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.324 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 m -119.16 -51.73 2.32 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 16.6 t -64.99 -43.88 91.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.046 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -76.02 -38.99 56.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.057 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.25 -44.46 95.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -52.94 14.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -59.15 -55.09 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.5 mtp -111.51 86.88 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.73 32.37 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.559 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 59.84 161.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.733 0.301 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 t -108.7 142.67 38.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.098 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -109.18 -38.17 5.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.746 0.307 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -149.88 -69.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -133.09 157.06 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.732 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.18 143.0 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.011 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 71' ' ' LEU . 2.4 p -135.99 151.57 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -111.53 122.75 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.918 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.524 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 p -63.92 129.74 94.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.32 6.94 5.41 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.474 2.116 . . . . 0.0 111.113 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 1.9 m-85 -67.36 -10.94 56.0 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 60' ' ' TYR . 12.7 t0 97.5 74.74 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.065 0.546 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 64' ' ' HIS . 0.1 OUTLIER 173.9 137.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.826 179.76 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -68.36 67.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.146 0.498 . . . . 0.0 110.437 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.543 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 2.0 m170 -105.3 121.17 43.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.535 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -122.13 109.92 15.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.378 0.609 . . . . 0.0 110.442 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -142.72 157.52 61.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.457 -179.713 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.14 151.72 16.21 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 121.792 1.661 . . . . 0.0 111.343 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -51.77 -23.44 4.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.357 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -100.01 34.01 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.026 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -136.52 7.55 3.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.181 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 56' ' ' VAL . 3.3 mm? -61.98 -48.02 82.21 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 120.645 0.26 . . . . 0.0 110.552 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.56 -47.42 73.25 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.089 0.471 . . . . 0.0 109.869 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -30.11 70.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.455 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.48 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -68.98 -48.82 62.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.22 179.356 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 4.5 mtp -55.57 -41.27 73.06 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.834 0.35 . . . . 0.0 110.185 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.95 -22.52 3.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.324 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -116.59 -50.06 2.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 25.1 t -66.04 -50.97 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.297 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.61 -39.05 46.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.289 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -34.21 77.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.163 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -81.4 -51.13 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.022 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -57.89 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 93.0 mmm 63.77 -78.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.48 -147.06 5.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -93.14 -66.8 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.3 m 60.24 92.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.8 pttp . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.969 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.9 p -106.74 155.55 19.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.2 -69.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -113.21 145.64 40.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.413 ' CG1' ' HB3' ' A' ' 65' ' ' HIS . 4.6 t -123.14 143.07 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG12 ' CD2' ' A' ' 71' ' ' LEU . 8.9 p -122.84 159.5 26.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.146 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.4 mt -104.72 141.04 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.38 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.509 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.6 p -93.08 147.13 33.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.083 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -84.36 17.6 1.7 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.859 2.372 . . . . 0.0 112.714 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.418 ' HD1' ' CE1' ' A' ' 74' ' ' HIS . 20.8 m-85 -108.51 -30.9 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.7 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -120.26 -32.48 4.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.364 -179.673 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 3.8 t 82.7 -54.11 0.19 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.857 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.7 42.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.256 0.55 . . . . 0.0 110.556 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.438 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 0.7 OUTLIER -117.13 113.58 22.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.347 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.413 ' HB3' ' CG1' ' A' ' 55' ' ' VAL . 11.7 m170 -100.06 110.84 23.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.985 0.421 . . . . 0.0 111.067 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.438 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.1 pmm? -137.92 150.13 66.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.649 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.77 136.82 73.08 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.291 1.994 . . . . 0.0 111.842 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.75 -26.36 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.9 t -102.14 26.47 7.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.638 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -137.05 13.58 3.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -58.29 -46.26 86.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.814 0.34 . . . . 0.0 110.343 179.767 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.7 -47.62 73.47 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.15 0.5 . . . . 0.0 110.141 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -62.21 -30.19 70.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.368 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.509 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -73.71 -48.73 29.83 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.442 ' HG3' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -56.0 -37.25 68.88 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.366 . . . . 0.0 110.177 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.14 -22.73 11.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.959 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -117.75 -50.93 2.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.508 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.3 t -66.01 -45.5 81.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -28.88 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -43.36 74.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -78.64 -45.82 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -26.02 63.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 20.5 mmt 62.12 154.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.927 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.64 49.24 0.82 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.549 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -98.9 31.17 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.6 p -109.71 100.09 9.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.7 m -107.12 153.41 22.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.95 100.93 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.32 141.17 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 t -118.98 135.03 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.411 HG12 ' CD2' ' A' ' 71' ' ' LEU . 7.1 p -122.59 159.57 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mp -106.22 133.48 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.535 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 27.3 p -84.43 146.47 47.51 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.129 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.19 14.8 2.32 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.783 2.322 . . . . 0.0 112.439 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -105.33 -28.65 10.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -122.66 -37.19 2.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.2 t 84.91 -48.87 0.09 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.919 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -96.0 41.48 1.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.224 0.535 . . . . 0.0 110.433 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.427 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 1.2 t-160 -117.11 127.12 53.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.269 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -113.19 110.76 20.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.004 0.43 . . . . 0.0 110.992 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.427 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.6 pmm? -141.29 154.54 67.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.615 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 137.58 82.57 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.246 1.964 . . . . 0.0 111.717 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -51.94 -25.78 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -102.62 26.55 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.4 m -136.83 12.79 3.14 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CD1' ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -56.93 -46.37 82.09 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.837 0.351 . . . . 0.0 110.411 179.757 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.97 73.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.066 0.46 . . . . 0.0 110.218 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -61.96 -30.27 70.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.108 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.535 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -73.6 -48.47 32.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.453 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.459 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 3.2 mtt -55.41 -39.87 70.74 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.794 0.33 . . . . 0.0 110.285 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.82 -24.4 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.103 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.9 t -115.26 -50.51 2.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.1 t -66.01 -50.22 65.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.933 0.397 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -73.6 -39.01 64.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.129 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.46 -31.66 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -83.69 -34.59 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -71.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -82.54 161.9 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.31 155.62 6.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.412 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.5 -34.02 10.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.4 m -87.11 140.61 29.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 t 68.13 -68.46 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.743 0.306 . . . . 0.0 111.007 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -90.83 97.53 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.948 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -109.64 157.01 19.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.57 134.45 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG12 ' CD2' ' A' ' 71' ' ' LEU . 9.4 p -128.88 160.5 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.452 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -109.78 135.37 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.972 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.618 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 8.9 p -78.31 126.01 83.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.226 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.58 6.39 3.24 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.573 2.182 . . . . 0.0 112.346 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 15.2 m-85 -78.79 4.25 14.44 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.218 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 62' ' ' SER . 2.7 t0 86.16 93.61 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 122.677 0.391 . . . . 0.0 111.875 178.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.9 t 159.78 133.05 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.978 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -69.8 67.05 0.25 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.313 0.578 . . . . 0.0 109.489 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -102.16 129.47 48.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.341 -178.548 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -117.56 109.93 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.035 0.445 . . . . 0.0 110.248 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.84 157.19 61.89 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.54 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.98 136.24 75.53 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.019 1.813 . . . . 0.0 111.433 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -51.79 -24.17 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.23 21.03 8.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.103 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -131.03 8.32 4.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.445 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -56.06 -29.04 59.9 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.914 0.388 . . . . 0.0 110.402 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.39 -42.73 78.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.874 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -68.4 -45.44 72.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.211 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.618 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -64.16 -48.85 74.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.14 0.495 . . . . 0.0 110.266 179.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.491 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 1.9 ttm -57.35 -39.94 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.127 -179.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.0 -18.76 26.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.402 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 t -117.39 -55.75 2.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.852 0.358 . . . . 0.0 111.133 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.464 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.9 t -61.18 -43.88 98.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.429 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.0 OUTLIER -77.68 -26.66 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.154 -179.626 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.6 -36.26 60.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.76 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -78.72 -44.58 23.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -33.44 58.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.8 119.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.33 -115.42 3.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -136.87 155.73 49.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.0 m -66.0 143.52 57.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.894 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.6 p -101.35 150.09 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 62.63 -80.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.046 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.87 157.11 46.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.19 113.38 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.401 HG12 ' CD2' ' A' ' 71' ' ' LEU . 8.3 p -117.84 155.58 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 3.6 mp -102.35 140.95 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.488 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.624 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 5.9 p -76.78 138.19 66.24 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.35 -12.94 33.04 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.745 2.297 . . . . 0.0 112.479 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CZ ' ' HG3' ' A' ' 79' ' ' ARG . 63.7 m-85 -74.13 -4.72 37.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.073 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.69 113.27 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.477 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.72 34.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.339 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.1 m120 41.36 44.27 2.34 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.259 0.552 . . . . 0.0 110.662 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.467 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -97.98 129.3 44.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.614 -178.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.421 ' CD2' HG13 ' A' ' 57' ' ' ILE . 14.7 m170 -122.15 110.32 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.564 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.401 ' HE2' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -142.5 157.11 63.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.695 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.35 142.56 68.73 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.316 2.011 . . . . 0.0 111.781 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -51.89 -25.38 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.16 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -102.15 29.19 5.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.1 m -135.73 11.65 3.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.003 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 74' ' ' HIS . 1.8 mm? -60.96 -46.11 92.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.71 -45.92 74.09 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.21 0.529 . . . . 0.0 110.066 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -64.17 -30.11 71.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.101 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.624 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -72.86 -49.03 32.51 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.484 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.2 -35.48 73.67 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.781 0.324 . . . . 0.0 110.127 -179.427 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.79 -20.15 13.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.772 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -119.24 -50.5 2.35 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.005 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.535 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.4 t -66.07 -46.67 76.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.432 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 1.6 ttt180 -76.86 -31.61 56.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.086 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.81 -36.79 81.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -43.39 22.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -48.64 73.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.83 159.9 33.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.34 -12.3 3.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.816 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 61.84 166.7 0.1 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.842 0.354 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.6 t -107.52 -31.57 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 tttm . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.912 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.44 137.28 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -86.7 161.0 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -93.74 157.07 16.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.16 131.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.421 HG12 HD23 ' A' ' 71' ' ' LEU . 3.6 p -121.91 169.07 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.49 127.85 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.453 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.582 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.2 p -82.08 145.35 52.74 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.33 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 92.1 Cg_endo -83.81 16.89 1.8 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.775 2.316 . . . . 0.0 112.279 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CE1' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -109.46 -19.67 13.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.65 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 62' ' ' SER . 25.1 t70 -132.71 -38.21 1.02 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.017 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.9 t 86.17 -49.25 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 122.551 0.341 . . . . 0.0 111.29 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -95.88 41.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.236 0.541 . . . . 0.0 110.436 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.44 ' CG ' ' HE2' ' A' ' 66' ' ' MET . 1.5 t-160 -117.18 117.5 29.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.473 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -104.65 110.79 23.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.989 0.423 . . . . 0.0 110.849 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.44 ' HE2' ' CG ' ' A' ' 64' ' ' HIS . 1.5 pmm? -142.19 151.79 59.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.691 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -56.35 137.11 78.94 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.081 1.854 . . . . 0.0 111.782 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -51.84 -26.61 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -97.03 20.31 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.843 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -127.85 6.7 6.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.808 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -56.01 -31.31 62.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.962 0.411 . . . . 0.0 110.514 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.32 85.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.807 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -46.85 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.409 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.582 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -62.64 -48.98 76.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.131 0.491 . . . . 0.0 110.194 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 6.8 ttm -58.56 -39.45 80.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.961 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.75 -19.45 27.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.093 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -116.58 -57.37 2.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.904 0.383 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.9 t -58.56 -45.17 89.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.42 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.3 OUTLIER -74.74 -28.34 60.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 -179.79 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -31.7 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.8 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -42.18 21.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.75 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.85 -46.18 79.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.5 mtp 61.18 177.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.94 136.99 2.74 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.539 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -71.8 166.97 20.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.757 0.313 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.5 m 60.5 40.77 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.8 p -73.82 88.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -123.65 106.06 10.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.46 157.07 36.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t -131.85 143.13 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.421 HG23 ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -121.5 173.36 7.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.402 0.62 . . . . 0.0 111.886 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -120.03 132.72 68.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.152 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.525 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 31.5 p -89.44 142.23 29.46 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.074 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.27 4.22 6.78 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.595 2.196 . . . . 0.0 112.199 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -89.28 -39.02 13.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.403 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 62' ' ' SER . 18.3 t0 -116.88 -36.77 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.4 t 85.16 -45.18 0.07 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.335 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -95.42 39.78 1.12 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.212 0.529 . . . . 0.0 110.583 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -117.28 113.19 21.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.464 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -105.97 110.84 23.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.867 0.365 . . . . 0.0 111.037 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.416 ' CE ' ' HB3' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -142.19 148.13 46.81 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.047 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.02 138.24 70.19 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.375 2.05 . . . . 0.0 111.973 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.421 ' HA ' HG23 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -51.94 -24.1 5.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.473 -179.711 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 m -94.03 25.12 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -143.56 15.12 1.8 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.348 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.483 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -58.02 -47.98 81.43 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.18 71.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.229 0.537 . . . . 0.0 109.98 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -66.25 -30.13 70.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.175 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.525 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -74.16 -48.97 25.79 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.388 179.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.44 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -60.23 -32.83 71.5 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.98 -21.17 28.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.623 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 t -118.23 -50.74 2.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.515 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.6 t -63.89 -47.87 78.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -28.27 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.1 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -31.39 22.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.83 -53.11 6.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.1 ttm -105.42 48.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -146.47 -83.35 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -119.79 140.06 51.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.98 -47.49 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.881 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.7 p -88.98 71.31 8.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.808 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -157.83 50.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 67' ' ' PRO . 3.7 mp0 -83.79 157.16 22.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.39 129.44 64.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.8 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.434 HG12 HD22 ' A' ' 71' ' ' LEU . 3.3 p -123.34 167.72 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.255 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 mt -114.16 137.02 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.309 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.567 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 27.3 p -94.03 143.57 26.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -83.84 12.2 3.07 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.662 2.241 . . . . 0.0 112.23 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.415 ' CE1' ' HG3' ' A' ' 75' ' ' MET . 3.8 m-85 -101.1 -30.01 11.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 62' ' ' SER . 2.9 m-20 -122.11 -32.67 3.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.909 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.8 t 82.1 -52.62 0.23 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.325 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 p30 -93.36 43.43 1.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.151 0.501 . . . . 0.0 110.789 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.407 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -117.25 133.53 55.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.398 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -122.05 110.5 15.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.895 0.379 . . . . 0.0 110.671 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.56 152.62 60.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.448 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 18.6 Cg_endo -60.71 139.45 85.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 121.891 1.727 . . . . 0.0 111.573 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -23.01 3.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.394 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -94.39 22.68 5.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.162 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.448 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 40.8 t -137.7 11.37 2.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.397 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -58.58 -30.84 67.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.896 0.379 . . . . 0.0 110.246 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.92 -38.97 79.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.794 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -71.15 -47.31 58.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.217 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.567 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -61.96 -48.81 78.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.12 0.486 . . . . 0.0 109.993 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.482 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 3.6 ttm -57.76 -42.69 84.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.971 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.25 -22.12 16.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.266 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -113.89 -57.45 2.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 43.2 t -58.56 -48.26 81.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.424 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.0 OUTLIER -69.26 -34.77 75.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.905 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -31.9 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.746 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -44.4 45.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.704 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.49 84.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.2 ttt -116.92 112.22 20.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 173.97 -54.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.413 ' CE2' HG22 ' A' ' 86' ' ' THR . 15.2 p90 -121.99 -42.26 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.413 HG22 ' CE2' ' A' ' 85' ' ' TYR . 1.7 p -59.91 161.27 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -162.78 117.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.15 147.66 34.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -70.84 156.43 39.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.7 t -124.75 143.09 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG12 ' CD2' ' A' ' 71' ' ' LEU . 7.6 p -131.29 158.39 43.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.431 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 0.9 OUTLIER -107.91 133.34 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.046 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.595 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 2.2 p -67.17 141.66 96.43 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.466 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -80.63 4.23 7.07 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.971 2.447 . . . . 0.0 112.602 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -81.97 6.75 15.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.585 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 62' ' ' SER . 2.5 t0 77.5 96.67 0.06 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.843 0.354 . . . . 0.0 111.565 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.9 OUTLIER 164.08 137.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.557 179.662 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.23 63.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.139 0.495 . . . . 0.0 110.2 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.507 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 1.2 t-160 -99.7 131.32 45.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.646 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -122.0 110.21 15.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.942 0.401 . . . . 0.0 111.059 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.433 ' HE1' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -142.58 155.0 63.83 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.281 179.453 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.403 ' HG2' ' HB2' ' A' ' 70' ' ' SER . 10.5 Cg_endo -55.09 138.67 79.3 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.05 1.833 . . . . 0.0 111.407 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 tttm -51.82 -23.0 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.553 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.0 33.98 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.311 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.403 ' HB2' ' HG2' ' A' ' 67' ' ' PRO . 71.2 m -149.41 18.34 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.565 0.221 . . . . 0.0 111.457 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' CD1' ' CD2' ' A' ' 74' ' ' HIS . 1.3 mm? -60.23 -44.39 95.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.878 0.37 . . . . 0.0 110.174 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.78 -46.04 74.38 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.162 0.506 . . . . 0.0 110.003 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -31.71 72.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.128 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.595 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -70.73 -48.99 51.63 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.465 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.49 -37.67 73.32 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 110.291 -179.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.42 -22.39 12.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.1 t -117.15 -50.97 2.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.244 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.0 t -66.12 -45.65 80.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -36.89 45.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 tp -69.09 -29.74 67.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.047 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -86.45 -47.96 8.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.992 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -44.16 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.74 38.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.15 94.91 0.1 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -153.24 45.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.75 151.43 30.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.817 0.342 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.7 HG12 ' O ' ' A' ' 66' ' ' MET . 8.7 p -124.88 165.82 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.469 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.8 mp -112.17 130.55 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.414 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 29.8 p . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.214 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.442 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.099 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -117.22 110.72 18.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.45 . . . . 0.0 110.955 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.7 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.7 pmm? -142.37 142.33 23.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.526 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 8.8 Cg_endo -51.88 140.04 49.09 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.126 1.884 . . . . 0.0 111.65 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -51.76 -23.51 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.451 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 p -99.44 29.86 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.223 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.451 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 13.0 t -146.89 17.53 1.25 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.302 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.666 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -59.7 -48.01 83.38 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.62 -45.03 73.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.054 0.454 . . . . 0.0 110.199 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.62 -31.11 71.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.99 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.666 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.49 -48.35 34.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.371 179.44 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 3.9 mtt -55.45 -39.86 70.84 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.824 0.345 . . . . 0.0 110.441 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.22 -24.69 7.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.233 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 m -114.41 -50.57 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.995 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 51.5 t -65.99 -51.07 61.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -34.42 64.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.99 -37.21 86.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.711 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -77.77 -40.45 40.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.607 HG12 ' HB3' ' A' ' 65' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.943 0.401 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 66' ' ' MET . 7.9 p -113.24 160.36 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.513 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.6 mp -112.34 141.03 29.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.041 0.448 . . . . 0.0 111.28 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.445 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 29.4 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.04 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.04 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.607 ' HB3' HG12 ' A' ' 55' ' ' VAL . 39.3 m80 -122.14 110.37 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.995 0.426 . . . . 0.0 111.391 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.728 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.72 157.27 62.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.424 179.166 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.89 135.97 64.77 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.218 1.946 . . . . 0.0 111.899 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.667 ' HA ' HG11 ' A' ' 56' ' ' VAL . 5.1 tttt -51.89 -25.89 9.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.004 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -96.4 25.45 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.796 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -137.11 13.58 3.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.696 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -57.46 -45.18 85.06 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 110.277 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.67 -44.84 73.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.229 0.538 . . . . 0.0 110.084 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -64.73 -30.16 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.098 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.696 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.71 -48.87 28.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.429 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -58.8 -35.74 73.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.814 0.34 . . . . 0.0 110.184 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.548 ' HA ' HD23 ' A' ' 80' ' ' LEU . . . -54.21 -23.02 13.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.706 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -116.62 -53.77 2.49 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.685 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.478 ' CB ' ' CD2' ' A' ' 74' ' ' HIS . 48.7 t -60.55 -47.99 83.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.021 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -31.39 59.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.131 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 76' ' ' ALA . 3.5 mm? -67.45 -34.19 76.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.73 -59.98 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 65' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.906 0.384 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.79 HG11 HD21 ' A' ' 71' ' ' LEU . 6.4 p -129.93 166.68 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.385 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.483 ' H ' HG22 ' A' ' 56' ' ' VAL . 1.7 mp -115.13 132.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.29 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.419 ' N ' ' HE1' ' A' ' 66' ' ' MET . 23.0 p . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.239 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.549 0.214 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.552 ' HB3' HG11 ' A' ' 55' ' ' VAL . 19.9 m170 -102.69 110.66 22.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.013 0.435 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.641 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.22 150.1 54.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.394 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.52 137.66 48.69 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.213 1.942 . . . . 0.0 112.055 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -51.89 -26.04 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.983 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.59 26.96 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.706 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.6 m -135.93 11.94 3.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.79 HD21 HG11 ' A' ' 56' ' ' VAL . 1.2 mm? -55.69 -46.73 77.57 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.765 0.317 . . . . 0.0 110.281 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.76 -45.13 74.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.126 0.488 . . . . 0.0 110.349 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -64.76 -30.73 71.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.258 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.554 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.36 -48.91 25.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.966 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.431 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.65 -34.43 72.81 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.276 -179.717 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.06 14.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 t -117.13 -51.62 2.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.564 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.468 ' CB ' ' CD2' ' A' ' 74' ' ' HIS . 36.2 t -63.72 -49.26 73.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -29.96 64.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.08 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -64.29 -48.59 75.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.795 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -73.26 -35.14 66.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 66' ' ' MET . 10.3 p -137.1 158.74 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.334 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.499 ' N ' HG22 ' A' ' 56' ' ' VAL . 3.0 mp -104.31 137.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.025 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 4.6 p . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.339 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.806 0.336 . . . . 0.0 111.616 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -122.2 110.53 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.578 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.665 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.5 pmm? -142.17 143.82 29.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.44 147.39 68.75 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 121.887 1.725 . . . . 0.0 111.482 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -22.55 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.622 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -102.22 33.54 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.409 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.0 m -147.95 16.33 1.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.595 0.236 . . . . 0.0 111.533 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.553 HD13 ' ND1' ' A' ' 74' ' ' HIS . 1.2 mm? -62.98 -48.04 80.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.843 0.354 . . . . 0.0 110.177 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 75' ' ' MET . . . -54.83 -44.69 74.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.268 0.556 . . . . 0.0 110.143 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -30.05 71.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.217 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.667 ' CD2' ' HB3' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -74.3 -49.11 24.41 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.07 -35.82 74.03 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.253 -179.237 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.96 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.675 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.8 t -117.68 -52.07 2.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.667 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 53.2 t -64.64 -45.97 84.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -75.5 -30.67 59.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.31 -37.84 86.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.676 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -39.09 28.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.67 0.271 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -127.51 163.32 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.327 0.584 . . . . 0.0 112.214 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.426 HD11 ' NE2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -110.77 125.95 68.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.636 178.736 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 19.5 p . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.43 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.536 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.132 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.426 ' NE2' HD11 ' A' ' 57' ' ' ILE . 40.9 m80 -122.26 109.93 15.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.51 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.5 157.09 63.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.707 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -59.96 147.59 92.21 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 121.748 1.632 . . . . 0.0 111.633 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HA ' HG21 ' A' ' 56' ' ' VAL . 2.6 tttt -51.73 -22.96 3.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.335 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.1 28.6 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.01 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.94 8.81 2.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.964 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.502 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.9 OUTLIER -59.9 -47.98 83.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.64 -46.71 73.99 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.134 0.492 . . . . 0.0 109.879 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -60.43 -30.23 69.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.456 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -68.73 -48.62 63.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.123 179.223 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 6.4 mtp -55.47 -42.02 73.77 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.298 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.32 -24.65 4.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.252 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 m -113.76 -51.39 2.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 49.6 t -66.0 -51.07 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.107 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -71.01 -30.8 67.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.04 -34.19 72.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -32.64 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.705 HG11 ' HB3' ' A' ' 65' ' ' HIS . 3.2 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 66' ' ' MET . 7.8 p -124.47 160.44 29.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.067 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.515 ' N ' HG22 ' A' ' 56' ' ' VAL . 2.1 mp -107.58 133.49 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.7 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 26.3 p . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.3 t-160 . . . . . 0 CA--C 1.523 -0.058 0 CA-C-O 120.592 0.234 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.705 ' HB3' HG11 ' A' ' 55' ' ' VAL . 15.6 m170 -106.55 110.9 23.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.987 0.422 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.618 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -141.35 148.88 52.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.655 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.8 137.37 67.67 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.255 1.97 . . . . 0.0 111.721 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.492 ' HA ' HG11 ' A' ' 56' ' ' VAL . 33.6 tttt -51.92 -25.95 9.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 m -101.27 26.44 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.641 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.3 m -137.32 12.74 3.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.083 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.71 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -57.15 -45.35 83.65 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.218 179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.423 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.77 -46.8 74.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.103 0.478 . . . . 0.0 110.084 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -30.15 71.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.283 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.71 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.58 -48.77 30.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.427 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.51 -35.61 70.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.055 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.81 -21.52 11.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -118.66 -49.84 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.77 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.514 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 41.9 t -66.05 -47.58 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -75.97 -30.17 58.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -40.1 77.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -53.63 7.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.896 0.379 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 66' ' ' MET . 7.1 p -141.96 159.26 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.365 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.505 ' N ' HG22 ' A' ' 56' ' ' VAL . 2.9 mp -103.18 141.1 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.012 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.481 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 8.0 p . . . . . 0 C--N 1.327 -0.403 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.256 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.528 ' HB3' ' HE1' ' A' ' 66' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.777 0.323 . . . . 0.0 111.617 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.461 ' NE2' HD11 ' A' ' 57' ' ' ILE . 13.0 m170 -122.18 110.51 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.568 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.617 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.51 154.2 63.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.664 179.601 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.21 139.95 72.06 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.024 1.816 . . . . 0.0 111.635 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.9 tttt -51.86 -24.05 5.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.394 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.0 t -100.22 31.01 3.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.02 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.02 15.71 2.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.217 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.571 HD13 ' ND1' ' A' ' 74' ' ' HIS . 1.4 mm? -60.59 -46.88 88.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.78 0.324 . . . . 0.0 110.53 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 75' ' ' MET . . . -54.91 -43.43 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.241 0.543 . . . . 0.0 109.977 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -30.16 70.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.131 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.599 ' CD2' ' HB3' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -74.05 -49.19 25.26 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.485 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -60.27 -33.58 72.53 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.149 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.1 -19.47 19.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.8 t -120.06 -50.49 2.26 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.599 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 52.1 t -66.09 -44.98 82.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -30.64 55.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.143 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -42.12 65.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -51.32 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.038 -179.9 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.687 HG12 ' O ' ' A' ' 66' ' ' MET . 7.3 p -127.99 158.92 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.387 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.5 ' N ' HG22 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -104.52 122.71 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.908 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.586 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 25.1 p . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.383 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.445 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 1.5 t-160 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.514 0.197 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -122.04 110.46 15.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.953 0.406 . . . . 0.0 111.044 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.787 ' HE2' ' HB2' ' A' ' 74' ' ' HIS . 1.6 pmm? -142.24 152.11 60.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.366 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 15.3 Cg_endo -58.58 143.81 97.94 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.753 1.635 . . . . 0.0 111.332 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -51.72 -21.35 2.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.667 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -102.1 31.66 3.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.46 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.454 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 47.4 t -146.6 15.05 1.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.554 0.216 . . . . 0.0 111.378 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 75' ' ' MET . 1.0 OUTLIER -57.99 -45.0 87.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.64 -49.39 70.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.139 0.495 . . . . 0.0 109.995 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -30.43 66.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.353 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.787 ' HB2' ' HE2' ' A' ' 66' ' ' MET . 0.0 OUTLIER -66.23 -48.71 69.68 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.03 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 6.6 mtt -55.23 -42.29 73.21 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.012 0.434 . . . . 0.0 110.155 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.37 -21.72 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.435 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.0 m -117.79 -52.54 2.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.634 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 17.4 t -66.01 -45.01 83.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.05 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -75.91 -37.17 59.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.035 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -61.7 -40.9 96.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -80.85 -34.57 33.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.081 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.813 0.34 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 66' ' ' MET . 12.3 p -111.03 162.29 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.527 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.2 mp -108.66 139.59 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.0 110.506 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 24.8 p . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.183 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.469 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.1 t-160 . . . . . 0 CA--C 1.523 -0.067 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -118.89 110.54 17.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.023 0.439 . . . . 0.0 110.806 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.749 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -142.51 154.72 63.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.438 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.98 136.66 76.48 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.172 1.915 . . . . 0.0 111.697 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HA ' HG11 ' A' ' 56' ' ' VAL . 12.7 tttp -51.86 -26.69 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t -96.58 20.05 11.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -127.93 5.96 6.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.757 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -54.36 -30.23 51.02 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.999 0.428 . . . . 0.0 110.475 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.92 -42.08 81.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.834 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -46.12 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.358 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.757 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -63.33 -48.88 76.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.066 0.46 . . . . 0.0 110.103 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.482 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 4.1 ttm -57.48 -40.46 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.993 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.13 -21.0 29.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.121 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 t -114.83 -58.58 2.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.613 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 40.3 t -57.87 -44.32 86.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.438 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.4 OUTLIER -75.32 -27.15 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.164 -179.707 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.98 -31.06 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.844 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -86.83 -54.76 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.746 HG11 ' HB3' ' A' ' 65' ' ' HIS . 2.7 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.865 0.364 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 66' ' ' MET . 12.6 p -124.79 161.53 28.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.255 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.527 ' N ' HG22 ' A' ' 56' ' ' VAL . 8.4 mt -109.6 139.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.45 ' HB3' ' CE ' ' A' ' 66' ' ' MET . 28.9 p . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.068 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.53 ' HB3' ' HE2' ' A' ' 66' ' ' MET . 1.1 t-160 . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.746 ' HB3' HG11 ' A' ' 55' ' ' VAL . 17.7 m170 -110.05 110.56 21.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 111.862 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.761 ' HE1' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -142.43 157.04 63.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.547 178.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.52 135.01 60.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.3 2.0 . . . . 0.0 111.984 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HA ' HG11 ' A' ' 56' ' ' VAL . 21.7 tttm -51.96 -25.72 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.245 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.07 29.65 3.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.828 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 p -141.6 14.43 2.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.672 HD13 ' ND1' ' A' ' 74' ' ' HIS . 1.0 OUTLIER -56.96 -43.31 81.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.251 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.75 -46.28 74.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.159 0.504 . . . . 0.0 110.09 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -64.03 -30.22 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.137 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.761 ' CD2' ' HE1' ' A' ' 66' ' ' MET . 0.0 OUTLIER -72.7 -48.89 35.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.58 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -58.67 -35.48 72.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.823 0.344 . . . . 0.0 110.087 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.6 -23.51 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.746 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.7 t -115.87 -51.86 2.64 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.651 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.491 ' CB ' ' CD2' ' A' ' 74' ' ' HIS . 48.9 t -63.57 -46.54 85.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -38.97 36.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -65.19 -30.93 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -86.71 -38.46 16.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.9 tptt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.931 0.396 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.913 HG11 HD21 ' A' ' 71' ' ' LEU . 8.1 p -92.97 168.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.591 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.611 HD13 ' C ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -116.55 109.45 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.903 0.383 . . . . 0.0 110.268 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.867 ' SG ' ' HB3' ' A' ' 64' ' ' HIS . 14.6 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.709 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.867 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 9.4 t-80 . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 73.0 m80 -102.22 127.06 49.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.125 0.488 . . . . 0.0 112.048 -178.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.775 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -142.19 157.17 64.01 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.496 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.25 137.47 38.32 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.206 1.937 . . . . 0.0 111.852 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -51.75 -26.9 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.163 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 m -99.68 27.03 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -134.06 9.12 3.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.578 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.913 HD21 HG11 ' A' ' 56' ' ' VAL . 1.5 mm? -54.76 -48.23 72.89 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 120.761 0.315 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.93 -50.84 67.86 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -60.92 -30.04 69.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.179 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.57 ' CD2' ' CB ' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -73.26 -48.57 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.744 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.422 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 0.9 OUTLIER -55.53 -39.37 70.45 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 110.256 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.457 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -54.09 -21.9 9.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.324 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 m -119.16 -51.73 2.32 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.57 ' CB ' ' CD2' ' A' ' 74' ' ' HIS . 16.6 t -64.99 -43.88 91.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.046 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -76.02 -38.99 56.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.057 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -63.25 -44.46 95.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.932 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -52.94 14.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.027 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.899 0.38 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 66' ' ' MET . 2.4 p -135.99 151.57 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.594 HD13 ' C ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -111.53 122.75 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.918 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 p . . . . . 0 C--N 1.33 -0.282 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 2.0 m170 . . . . . 0 CA--C 1.518 -0.277 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -122.13 109.92 15.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.378 0.609 . . . . 0.0 110.442 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.544 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.72 157.52 61.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.457 -179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.14 151.72 16.21 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 121.792 1.661 . . . . 0.0 111.343 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.531 ' HA ' HG11 ' A' ' 56' ' ' VAL . 10.5 tttp -51.77 -23.44 4.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.357 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -100.01 34.01 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.026 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -136.52 7.55 3.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.181 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 75' ' ' MET . 3.3 mm? -61.98 -48.02 82.21 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 120.645 0.26 . . . . 0.0 110.552 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.56 -47.42 73.25 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.089 0.471 . . . . 0.0 109.869 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -30.11 70.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.455 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.516 ' CD2' ' CB ' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -68.98 -48.82 62.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.22 179.356 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 4.5 mtp -55.57 -41.27 73.06 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.834 0.35 . . . . 0.0 110.185 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.95 -22.52 3.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.324 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -116.59 -50.06 2.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.516 ' CB ' ' CD2' ' A' ' 74' ' ' HIS . 25.1 t -66.04 -50.97 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.297 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.61 -39.05 46.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.289 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -34.21 77.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.163 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -81.4 -51.13 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.022 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.781 HG11 ' HB3' ' A' ' 65' ' ' HIS . 4.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.861 0.363 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 66' ' ' MET . 8.9 p -122.84 159.5 26.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.146 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' N ' HG22 ' A' ' 56' ' ' VAL . 4.4 mt -104.72 141.04 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.38 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 24.6 p . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.083 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.668 0.27 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.781 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -100.06 110.84 23.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.985 0.421 . . . . 0.0 111.067 -179.798 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.536 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.1 pmm? -137.92 150.13 66.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.649 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.77 136.82 73.08 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.291 1.994 . . . . 0.0 111.842 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.75 -26.36 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.9 t -102.14 26.47 7.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.638 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -137.05 13.58 3.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.709 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -58.29 -46.26 86.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.814 0.34 . . . . 0.0 110.343 179.767 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.7 -47.62 73.47 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.15 0.5 . . . . 0.0 110.141 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -62.21 -30.19 70.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.368 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.709 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.71 -48.73 29.83 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.453 ' HG3' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -56.0 -37.25 68.88 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.366 . . . . 0.0 110.177 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.14 -22.73 11.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.959 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -117.75 -50.93 2.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.592 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 42.3 t -66.01 -45.5 81.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -28.88 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -43.36 74.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -78.64 -45.82 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' HB3' ' A' ' 65' ' ' HIS . 1.7 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.857 0.361 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 66' ' ' MET . 7.1 p -122.59 159.57 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.508 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.8 mp -106.22 133.48 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 27.3 p . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.129 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 1.2 t-160 . . . . . 0 CA--C 1.523 -0.069 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.557 ' HB3' HG11 ' A' ' 55' ' ' VAL . 13.3 m170 -113.19 110.76 20.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.004 0.43 . . . . 0.0 110.992 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.597 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -141.29 154.54 67.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.615 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 137.58 82.57 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.246 1.964 . . . . 0.0 111.717 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.538 ' HA ' HG11 ' A' ' 56' ' ' VAL . 6.4 tptt -51.94 -25.78 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -102.62 26.55 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.4 m -136.83 12.79 3.14 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.719 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -56.93 -46.37 82.09 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.837 0.351 . . . . 0.0 110.411 179.757 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.97 73.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.066 0.46 . . . . 0.0 110.218 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -61.96 -30.27 70.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.108 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.719 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.6 -48.47 32.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.453 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 3.2 mtt -55.41 -39.87 70.74 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.794 0.33 . . . . 0.0 110.285 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.82 -24.4 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.103 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.9 t -115.26 -50.51 2.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.576 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 48.1 t -66.01 -50.22 65.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.933 0.397 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -73.6 -39.01 64.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.129 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.46 -31.66 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -83.69 -34.59 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.33 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 66' ' ' MET . 9.4 p -128.88 160.5 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.516 ' N ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -109.78 135.37 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.972 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.564 ' HB3' ' HE3' ' A' ' 66' ' ' MET . 8.9 p . . . . . 0 C--N 1.326 -0.44 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.226 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.448 0.166 . . . . 0.0 111.341 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -117.56 109.93 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.035 0.445 . . . . 0.0 110.248 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.742 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.84 157.19 61.89 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.54 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.98 136.24 75.53 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.019 1.813 . . . . 0.0 111.433 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.641 ' HA ' HG11 ' A' ' 56' ' ' VAL . 1.5 ttmt -51.79 -24.17 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.23 21.03 8.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.103 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -131.03 8.32 4.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.77 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -56.06 -29.04 59.9 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.914 0.388 . . . . 0.0 110.402 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.39 -42.73 78.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.874 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -68.4 -45.44 72.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.211 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.77 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -64.16 -48.85 74.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.14 0.495 . . . . 0.0 110.266 179.527 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.491 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 1.9 ttm -57.35 -39.94 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.127 -179.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.631 ' O ' HD13 ' A' ' 80' ' ' LEU . . . -58.0 -18.76 26.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.402 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 t -117.39 -55.75 2.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.852 0.358 . . . . 0.0 111.133 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.626 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 40.9 t -61.18 -43.88 98.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.45 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.0 OUTLIER -77.68 -26.66 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.154 -179.626 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -75.6 -36.26 60.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.76 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -78.72 -44.58 23.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.51 HG12 ' HB3' ' A' ' 65' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 66' ' ' MET . 8.3 p -117.84 155.58 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 3.6 mp -102.35 140.95 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.488 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.603 ' HB3' ' HE3' ' A' ' 66' ' ' MET . 5.9 p . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.042 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.48 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.715 0.293 . . . . 0.0 111.614 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.51 ' HB3' HG12 ' A' ' 55' ' ' VAL . 14.7 m170 -122.15 110.32 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.564 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.698 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.5 157.11 63.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.695 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.35 142.56 68.73 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.316 2.011 . . . . 0.0 111.781 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.554 ' HA ' HG11 ' A' ' 56' ' ' VAL . 1.7 tptt -51.89 -25.38 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -102.15 29.19 5.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.1 m -135.73 11.65 3.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.003 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.574 HD13 ' ND1' ' A' ' 74' ' ' HIS . 1.8 mm? -60.96 -46.11 92.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.71 -45.92 74.09 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.21 0.529 . . . . 0.0 110.066 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -64.17 -30.11 71.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.101 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.617 ' CD2' ' HB3' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -72.86 -49.03 32.51 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.484 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.2 -35.48 73.67 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.781 0.324 . . . . 0.0 110.127 -179.427 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.79 -20.15 13.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.772 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -119.24 -50.5 2.35 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.005 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.617 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 42.4 t -66.07 -46.67 76.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -76.86 -31.61 56.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.086 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.81 -36.79 81.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -43.39 22.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.917 0.389 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 66' ' ' MET . 3.6 p -121.91 169.07 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.533 ' H ' HG22 ' A' ' 56' ' ' VAL . 1.8 mp -114.49 127.85 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.453 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.488 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 24.2 p . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.33 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.457 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.5 t-160 . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.514 0.197 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -104.65 110.79 23.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.989 0.423 . . . . 0.0 110.849 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.59 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.5 pmm? -142.19 151.79 59.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.691 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -56.35 137.11 78.94 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.081 1.854 . . . . 0.0 111.782 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -51.84 -26.61 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -97.03 20.31 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.843 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -127.85 6.7 6.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.808 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.749 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -56.01 -31.31 62.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.962 0.411 . . . . 0.0 110.514 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.32 85.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.807 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -46.85 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.409 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.749 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -62.64 -48.98 76.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.131 0.491 . . . . 0.0 110.194 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 6.8 ttm -58.56 -39.45 80.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.961 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.75 -19.45 27.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.093 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -116.58 -57.37 2.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.904 0.383 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.595 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 40.9 t -58.56 -45.17 89.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.3 OUTLIER -74.74 -28.34 60.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 -179.79 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -31.7 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.8 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -42.18 21.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.75 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.681 HG11 ' HB3' ' A' ' 65' ' ' HIS . 3.1 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.729 0.299 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.543 ' C ' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -121.5 173.36 7.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.402 0.62 . . . . 0.0 111.886 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 56' ' ' VAL . 1.7 mp -120.03 132.72 68.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.152 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.436 ' H ' ' HE1' ' A' ' 66' ' ' MET . 31.5 p . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.074 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.445 ' HB3' ' HE1' ' A' ' 66' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.075 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.681 ' HB3' HG11 ' A' ' 55' ' ' VAL . 31.1 m170 -105.97 110.84 23.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.867 0.365 . . . . 0.0 111.037 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.445 ' HE1' ' HB3' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -142.19 148.13 46.81 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.047 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.02 138.24 70.19 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.375 2.05 . . . . 0.0 111.973 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' HA ' HG21 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -51.94 -24.1 5.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.473 -179.711 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 m -94.03 25.12 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -143.56 15.12 1.8 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.348 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.672 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -58.02 -47.98 81.43 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.18 71.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.229 0.537 . . . . 0.0 109.98 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -66.25 -30.13 70.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.175 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.672 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.16 -48.97 25.79 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.388 179.706 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.44 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -60.23 -32.83 71.5 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.98 -21.17 28.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.623 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 t -118.23 -50.74 2.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.515 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.458 ' CB ' ' CD2' ' A' ' 74' ' ' HIS . 42.6 t -63.89 -47.87 78.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -28.27 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.1 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -31.39 22.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.813 0.339 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 66' ' ' MET . 3.3 p -123.34 167.72 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.255 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.507 ' H ' HG22 ' A' ' 56' ' ' VAL . 2.5 mt -114.16 137.02 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.309 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.407 ' SG ' ' CB ' ' A' ' 64' ' ' HIS . 27.3 p . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.407 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -122.05 110.5 15.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.895 0.379 . . . . 0.0 110.671 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.613 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.56 152.62 60.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 18.6 Cg_endo -60.71 139.45 85.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 121.891 1.727 . . . . 0.0 111.573 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -23.01 3.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.394 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -94.39 22.68 5.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.162 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.454 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 40.8 t -137.7 11.37 2.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.397 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.731 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -58.58 -30.84 67.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.896 0.379 . . . . 0.0 110.246 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.92 -38.97 79.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.794 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -71.15 -47.31 58.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.217 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.731 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.96 -48.81 78.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.12 0.486 . . . . 0.0 109.993 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.482 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 3.6 ttm -57.76 -42.69 84.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.971 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.25 -22.12 16.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.266 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -113.89 -57.45 2.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.587 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 43.2 t -58.56 -48.26 81.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.45 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.0 OUTLIER -69.26 -34.77 75.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.905 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -31.9 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.746 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -44.4 45.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.704 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 65' ' ' HIS . 1.7 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.767 0.318 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 66' ' ' MET . 7.6 p -131.29 158.39 43.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.431 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.553 HD11 ' NE2' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -107.91 133.34 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.046 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 2.2 p . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.466 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.523 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 1.2 t-160 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.529 0.204 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.594 ' HB3' HG11 ' A' ' 55' ' ' VAL . 38.1 m80 -122.0 110.21 15.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.942 0.401 . . . . 0.0 111.059 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.61 ' HE3' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -142.58 155.0 63.83 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.281 179.453 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.09 138.67 79.3 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.05 1.833 . . . . 0.0 111.407 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.518 ' HA ' HG11 ' A' ' 56' ' ' VAL . 9.2 tttm -51.82 -23.0 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.553 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.0 33.98 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.311 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -149.41 18.34 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.565 0.221 . . . . 0.0 111.457 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.61 HD13 ' ND1' ' A' ' 74' ' ' HIS . 1.3 mm? -60.23 -44.39 95.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.878 0.37 . . . . 0.0 110.174 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.413 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.78 -46.04 74.38 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.162 0.506 . . . . 0.0 110.003 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -31.71 72.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.128 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.636 ' CD2' ' HB3' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -70.73 -48.99 51.63 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.465 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.49 -37.67 73.32 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 110.291 -179.597 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.42 -22.39 12.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.1 t -117.15 -50.97 2.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.244 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.636 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 42.0 t -66.12 -45.65 80.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -36.89 45.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 tp -69.09 -29.74 67.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.047 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -86.45 -47.96 8.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.992 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.928 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -98.94 29.64 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -105.28 166.62 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.808 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -103.07 154.53 19.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.9 137.47 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.778 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.7 HG12 ' O ' ' A' ' 66' ' ' MET . 8.7 p -124.88 165.82 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.469 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.8 mp -112.17 130.55 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.414 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.507 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 29.8 p -82.46 145.06 50.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.214 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.77 13.5 2.59 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.705 2.27 . . . . 0.0 112.178 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.446 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 14.3 m-85 -102.5 -28.22 12.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -124.66 -39.5 2.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.024 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.4 t 86.75 -44.81 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -97.63 40.73 1.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.234 0.54 . . . . 0.0 110.327 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 0.9 OUTLIER -117.1 131.53 56.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.288 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -117.22 110.72 18.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.45 . . . . 0.0 110.955 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.7 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.7 pmm? -142.37 142.33 23.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.526 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 8.8 Cg_endo -51.88 140.04 49.09 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.126 1.884 . . . . 0.0 111.65 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -51.76 -23.51 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.451 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 p -99.44 29.86 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.223 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.451 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 13.0 t -146.89 17.53 1.25 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.302 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.666 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -59.7 -48.01 83.38 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.62 -45.03 73.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.054 0.454 . . . . 0.0 110.199 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.62 -31.11 71.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.99 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.666 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.49 -48.35 34.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.371 179.44 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.475 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 3.9 mtt -55.45 -39.86 70.84 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.824 0.345 . . . . 0.0 110.441 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.22 -24.69 7.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.233 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 m -114.41 -50.57 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.995 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.541 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 51.5 t -65.99 -51.07 61.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -73.68 -34.42 64.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.99 -37.21 86.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.711 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -77.77 -40.45 40.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -36.54 84.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 6.3 tpt -84.87 158.49 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.65 -97.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.04 77.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.54 149.6 20.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.31 33.59 18.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.996 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.77 -43.15 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -121.57 157.07 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.784 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.607 HG12 ' HB3' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -128.7 111.95 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 0.0 111.022 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 66' ' ' MET . 7.9 p -113.24 160.36 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.513 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.6 mp -112.34 141.03 29.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.041 0.448 . . . . 0.0 111.28 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.529 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 29.4 p -91.38 146.94 34.35 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.04 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -84.53 13.94 2.6 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -101.24 -34.42 9.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.755 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.5 t70 -119.2 -37.38 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.5 t 85.98 -44.49 0.05 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.293 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.73 39.95 1.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.221 0.534 . . . . 0.0 110.666 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -117.11 126.28 52.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.315 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.607 ' HB3' HG12 ' A' ' 55' ' ' VAL . 39.3 m80 -122.14 110.37 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.995 0.426 . . . . 0.0 111.391 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.728 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.72 157.27 62.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.424 179.166 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.89 135.97 64.77 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.218 1.946 . . . . 0.0 111.899 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.667 ' HA ' HG11 ' A' ' 56' ' ' VAL . 5.1 tttt -51.89 -25.89 9.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.004 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -96.4 25.45 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.796 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -137.11 13.58 3.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.891 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -57.46 -45.18 85.06 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 110.277 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.67 -44.84 73.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.229 0.538 . . . . 0.0 110.084 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -64.73 -30.16 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.098 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.891 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.71 -48.87 28.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.429 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -58.8 -35.74 73.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.814 0.34 . . . . 0.0 110.184 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.548 ' HA ' HD23 ' A' ' 80' ' ' LEU . . . -54.21 -23.02 13.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.706 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -116.62 -53.77 2.49 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.685 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.7 t -60.55 -47.99 83.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.021 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -31.39 59.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.131 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 76' ' ' ALA . 3.5 mm? -67.45 -34.19 76.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.73 -59.98 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -41.7 98.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 57.8 mtp 60.28 -175.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.43 148.16 12.29 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.656 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -34.36 70.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.1 m -109.36 133.12 53.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 tttp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.871 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.8 m -100.13 -31.21 11.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.362 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -113.91 66.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -92.07 142.0 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 65' ' ' HIS . 1.0 OUTLIER -85.62 143.02 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.894 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.79 HG11 HD21 ' A' ' 71' ' ' LEU . 6.4 p -129.93 166.68 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.385 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.483 ' H ' HG22 ' A' ' 56' ' ' VAL . 1.7 mp -115.13 132.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.29 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.514 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 23.0 p -87.52 145.3 37.05 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.239 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -83.21 12.38 2.98 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.818 2.345 . . . . 0.0 112.335 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -99.47 -33.25 10.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -121.77 -36.24 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.098 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.2 t 86.02 -46.15 0.06 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.102 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -96.14 41.24 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.151 0.501 . . . . 0.0 110.541 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -117.12 110.19 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.584 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.552 ' HB3' HG11 ' A' ' 55' ' ' VAL . 19.9 m170 -102.69 110.66 22.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.013 0.435 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.641 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.22 150.1 54.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.394 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.52 137.66 48.69 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.213 1.942 . . . . 0.0 112.055 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -51.89 -26.04 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.983 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.59 26.96 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.706 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.6 m -135.93 11.94 3.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.79 HD21 HG11 ' A' ' 56' ' ' VAL . 1.2 mm? -55.69 -46.73 77.57 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.765 0.317 . . . . 0.0 110.281 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.76 -45.13 74.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.126 0.488 . . . . 0.0 110.349 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -64.76 -30.73 71.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.258 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.742 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.36 -48.91 25.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.966 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.431 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.65 -34.43 72.81 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.276 -179.717 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.06 14.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 t -117.13 -51.62 2.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.564 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 36.2 t -63.72 -49.26 73.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -29.96 64.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.08 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -64.29 -48.59 75.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.795 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -73.26 -35.14 66.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -36.01 73.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.67 173.24 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.01 -162.08 49.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -98.65 31.54 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.74 109.72 9.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 mttp . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.925 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 m -135.23 110.68 9.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -98.86 31.29 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -74.53 157.02 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.98 142.97 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 66' ' ' MET . 10.3 p -137.1 158.74 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.334 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.499 ' N ' HG22 ' A' ' 56' ' ' VAL . 3.0 mp -104.31 137.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.025 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.63 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 4.6 p -69.47 138.81 88.94 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.339 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -63.77 -13.03 34.53 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.873 2.382 . . . . 0.0 112.588 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 79' ' ' ARG . 66.7 m-85 -71.44 -6.81 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.44 109.49 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.851 0.358 . . . . 0.0 111.22 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.99 33.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 42.48 44.85 3.67 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 110.746 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 1.0 OUTLIER -98.32 137.3 37.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.616 -179.226 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -122.2 110.53 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.578 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.665 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.5 pmm? -142.17 143.82 29.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.44 147.39 68.75 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 121.887 1.725 . . . . 0.0 111.482 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -22.55 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.622 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -102.22 33.54 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.409 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.0 m -147.95 16.33 1.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.595 0.236 . . . . 0.0 111.533 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.753 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.2 mm? -62.98 -48.04 80.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.843 0.354 . . . . 0.0 110.177 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 75' ' ' MET . . . -54.83 -44.69 74.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.268 0.556 . . . . 0.0 110.143 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -30.05 71.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.217 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.753 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.3 -49.11 24.41 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.07 -35.82 74.03 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.253 -179.237 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.96 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.675 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.8 t -117.68 -52.07 2.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.547 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 53.2 t -64.64 -45.97 84.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 4.7 ttp180 -75.5 -30.67 59.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.31 -37.84 86.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.676 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -39.09 28.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -64.33 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -66.4 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.59 -86.73 1.51 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.575 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 61.05 104.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.5 p -137.01 75.77 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.936 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.4 103.18 7.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.822 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -83.34 136.23 34.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 67' ' ' PRO . 14.0 mt-10 -62.07 157.04 19.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.19 137.35 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.704 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -127.51 163.32 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.327 0.584 . . . . 0.0 112.214 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.426 HD11 ' NE2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -110.77 125.95 68.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.636 178.736 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 19.5 p -77.11 131.27 73.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.43 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -73.55 3.09 5.1 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.178 1.918 . . . . 0.0 111.151 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.46 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 1.1 m-85 -70.1 -11.62 61.01 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.346 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 74.21 95.6 0.07 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.766 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ASN . 1.1 m 173.88 31.06 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' SER . 28.8 m120 34.48 70.03 0.14 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.02 0.438 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.536 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -116.39 133.01 56.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.046 -178.429 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.426 ' NE2' HD11 ' A' ' 57' ' ' ILE . 40.9 m80 -122.26 109.93 15.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.51 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.5 157.09 63.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.707 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 30.7 Cg_exo -59.96 147.59 92.21 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 121.748 1.632 . . . . 0.0 111.633 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HA ' HG21 ' A' ' 56' ' ' VAL . 2.6 tttt -51.73 -22.96 3.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.335 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.1 28.6 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.01 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.94 8.81 2.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.964 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.9 OUTLIER -59.9 -47.98 83.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.64 -46.71 73.99 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.134 0.492 . . . . 0.0 109.879 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -60.43 -30.23 69.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.456 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.702 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -68.73 -48.62 63.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.123 179.223 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 6.4 mtp -55.47 -42.02 73.77 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.298 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.32 -24.65 4.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.252 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 m -113.76 -51.39 2.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 49.6 t -66.0 -51.07 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.107 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 60' ' ' TYR . 5.9 ttt180 -71.01 -30.8 67.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.04 -34.19 72.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -32.64 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -68.06 -44.13 77.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -98.35 29.33 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -110.9 75.78 0.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 61.95 158.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.83 -62.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 m -70.08 -42.36 72.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.351 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -93.33 96.04 9.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -97.29 148.06 23.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.705 HG11 ' HB3' ' A' ' 65' ' ' HIS . 3.2 t -123.55 141.38 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 66' ' ' MET . 7.8 p -124.47 160.44 29.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.067 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.515 ' N ' HG22 ' A' ' 56' ' ' VAL . 2.1 mp -107.58 133.49 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.7 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 26.3 p -82.96 145.62 50.12 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.049 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -83.94 18.88 1.45 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.726 2.284 . . . . 0.0 112.566 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -107.69 -30.33 8.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.907 0.384 . . . . 0.0 110.75 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 62' ' ' SER . 27.6 t0 -121.85 -37.43 2.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.273 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 3.4 t 87.07 -46.74 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.944 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -96.96 41.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.168 0.509 . . . . 0.0 110.632 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.3 t-160 -117.2 119.91 36.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.429 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.705 ' HB3' HG11 ' A' ' 55' ' ' VAL . 15.6 m170 -106.55 110.9 23.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.987 0.422 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.618 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -141.35 148.88 52.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.655 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.8 137.37 67.67 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.255 1.97 . . . . 0.0 111.721 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.492 ' HA ' HG11 ' A' ' 56' ' ' VAL . 33.6 tttt -51.92 -25.95 9.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 m -101.27 26.44 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.641 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.3 m -137.32 12.74 3.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.083 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.71 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -57.15 -45.35 83.65 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.218 179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.423 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.77 -46.8 74.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.103 0.478 . . . . 0.0 110.084 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -30.15 71.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.283 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.71 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.58 -48.77 30.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.427 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.51 -35.61 70.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.055 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.81 -21.52 11.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -118.66 -49.84 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.77 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.514 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 41.9 t -66.05 -47.58 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -75.97 -30.17 58.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -40.1 77.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -53.63 7.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.442 ' HG2' ' CD1' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -64.09 -57.5 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.8 tpt 59.88 30.55 20.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.39 -36.24 1.74 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.549 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.442 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 1.8 t80 60.86 174.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.293 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.0 m 64.03 155.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.881 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -175.7 91.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.11 158.23 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -128.54 110.49 12.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.35 143.05 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.008 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 66' ' ' MET . 7.1 p -141.96 159.26 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.365 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.505 ' N ' HG22 ' A' ' 56' ' ' VAL . 2.9 mp -103.18 141.1 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.012 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.481 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 8.0 p -78.93 137.12 57.64 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.256 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -61.73 -12.93 27.43 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.809 2.339 . . . . 0.0 112.584 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.495 ' CZ ' ' HG3' ' A' ' 79' ' ' ARG . 73.4 m-85 -72.83 -4.82 34.09 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.116 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 58.42 110.64 0.01 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 111.572 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.65 33.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.318 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 42.29 43.04 2.81 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.293 0.568 . . . . 0.0 110.528 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 0.2 OUTLIER -95.79 129.82 42.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.617 -179.098 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.461 ' NE2' HD11 ' A' ' 57' ' ' ILE . 13.0 m170 -122.18 110.51 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.568 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.617 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.51 154.2 63.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.664 179.601 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.21 139.95 72.06 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.024 1.816 . . . . 0.0 111.635 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.9 tttt -51.86 -24.05 5.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.394 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.0 t -100.22 31.01 3.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.02 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.02 15.71 2.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.217 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.571 HD13 ' ND1' ' A' ' 74' ' ' HIS . 1.4 mm? -60.59 -46.88 88.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.78 0.324 . . . . 0.0 110.53 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 75' ' ' MET . . . -54.91 -43.43 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.241 0.543 . . . . 0.0 109.977 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -30.16 70.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.131 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.594 ' CD2' ' HB3' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -74.05 -49.19 25.26 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.485 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -60.27 -33.58 72.53 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.149 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.1 -19.47 19.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.8 t -120.06 -50.49 2.26 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.594 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 52.1 t -66.09 -44.98 82.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -77.1 -30.64 55.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.143 -179.708 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -42.12 65.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -51.32 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -71.24 -58.61 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.038 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 ttp 62.49 149.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.99 40.33 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.544 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -116.36 -39.67 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.58 153.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.5 m -118.53 28.83 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.78 83.51 1.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -85.38 157.12 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.022 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.59 134.09 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.475 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.687 HG12 ' O ' ' A' ' 66' ' ' MET . 7.3 p -127.99 158.92 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.387 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.5 ' N ' HG22 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -104.52 122.71 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.908 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.511 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 25.1 p -64.08 133.92 95.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.383 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -77.09 8.9 2.98 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.493 2.129 . . . . 0.0 111.928 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 75' ' ' MET . 2.8 m-30 -76.52 -0.37 22.85 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.206 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.9 OUTLIER 83.49 90.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.688 179.172 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.1 m 160.91 138.14 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.696 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -67.95 66.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.325 0.583 . . . . 0.0 110.011 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.5 t-160 -100.53 137.19 39.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.838 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -122.04 110.46 15.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.953 0.406 . . . . 0.0 111.044 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.687 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -142.24 152.11 60.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.366 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 15.3 Cg_endo -58.58 143.81 97.94 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.753 1.635 . . . . 0.0 111.332 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -51.72 -21.35 2.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.667 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -102.1 31.66 3.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.46 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.454 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 47.4 t -146.6 15.05 1.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.554 0.216 . . . . 0.0 111.378 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.614 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.0 OUTLIER -57.99 -45.0 87.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.64 -49.39 70.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.139 0.495 . . . . 0.0 109.995 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -30.43 66.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.353 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.66 ' HB2' ' HE2' ' A' ' 66' ' ' MET . 0.0 OUTLIER -66.23 -48.71 69.68 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.03 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 6.6 mtt -55.23 -42.29 73.21 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.012 0.434 . . . . 0.0 110.155 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.37 -21.72 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.435 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.0 m -117.79 -52.54 2.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.594 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 17.4 t -66.01 -45.01 83.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.05 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 60' ' ' TYR . 9.5 ttt180 -75.91 -37.17 59.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -61.7 -40.9 96.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -80.85 -34.57 33.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -71.56 -35.0 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.2 mmm 62.1 161.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -120.52 130.67 8.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.54 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.89 -49.74 5.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.7 p -150.12 149.7 30.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.8 tptt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.884 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m 63.3 141.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.947 0.403 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -150.74 -66.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.789 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -93.36 157.06 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.754 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.01 114.6 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.077 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 66' ' ' MET . 12.3 p -111.03 162.29 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.527 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.2 mp -108.66 139.59 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.0 110.506 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.575 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.8 p -92.95 144.13 27.95 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.183 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.429 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 88.2 Cg_endo -83.18 12.8 2.84 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 59' ' ' PRO . 3.4 m-85 -103.63 -27.05 12.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.493 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -123.21 -35.73 2.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 179.758 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 3.9 t 83.08 -51.4 0.16 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -95.0 42.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.248 0.547 . . . . 0.0 110.532 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.1 t-160 -117.11 132.76 56.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.274 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -118.89 110.54 17.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.023 0.439 . . . . 0.0 110.806 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.749 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -142.51 154.72 63.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.438 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.98 136.66 76.48 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.172 1.915 . . . . 0.0 111.697 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HA ' HG11 ' A' ' 56' ' ' VAL . 12.7 tttp -51.86 -26.69 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t -96.58 20.05 11.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -127.93 5.96 6.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.957 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -54.36 -30.23 51.02 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.999 0.428 . . . . 0.0 110.475 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.92 -42.08 81.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.834 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -46.12 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.358 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.957 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -63.33 -48.88 76.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.066 0.46 . . . . 0.0 110.103 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.482 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 4.1 ttm -57.48 -40.46 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.993 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.13 -21.0 29.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.121 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 t -114.83 -58.58 2.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.3 t -57.87 -44.32 86.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.438 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.4 OUTLIER -75.32 -27.15 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.164 -179.707 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.98 -31.06 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.844 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -86.83 -54.76 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -42.17 74.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.2 mtp 61.53 112.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.48 135.3 11.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.524 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.99 172.3 6.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 110.815 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.3 p -143.26 162.78 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.1 mttp . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.895 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -108.85 -55.33 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -97.52 107.88 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -111.04 154.34 24.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.746 HG11 ' HB3' ' A' ' 65' ' ' HIS . 2.7 t -124.49 143.07 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.99 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 66' ' ' MET . 12.6 p -124.79 161.53 28.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.255 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.527 ' N ' HG22 ' A' ' 56' ' ' VAL . 8.4 mt -109.6 139.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.5 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 28.9 p -91.28 145.99 32.57 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.068 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.38 15.61 2.07 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -102.85 -34.75 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 62' ' ' SER . 1.0 OUTLIER -119.91 -35.83 3.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.323 -179.766 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.0 t 86.2 -47.47 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.105 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -95.77 41.1 1.1 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.291 0.567 . . . . 0.0 110.544 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.53 ' HB3' ' HE2' ' A' ' 66' ' ' MET . 1.1 t-160 -117.12 114.95 24.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.056 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.746 ' HB3' HG11 ' A' ' 55' ' ' VAL . 17.7 m170 -110.05 110.56 21.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 111.862 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.57 ' HE1' ' ND1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -142.43 157.04 63.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.547 178.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.52 135.01 60.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.3 2.0 . . . . 0.0 111.984 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HA ' HG11 ' A' ' 56' ' ' VAL . 21.7 tttm -51.96 -25.72 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.245 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.07 29.65 3.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.828 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 p -141.6 14.43 2.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.0 OUTLIER -56.96 -43.31 81.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.251 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.75 -46.28 74.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.159 0.504 . . . . 0.0 110.09 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -64.03 -30.22 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.137 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.872 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -72.7 -48.89 35.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.58 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -58.67 -35.48 72.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.823 0.344 . . . . 0.0 110.087 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.6 -23.51 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.746 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.7 t -115.87 -51.86 2.64 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.651 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.9 t -63.57 -46.54 85.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -38.97 36.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -65.19 -30.93 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -86.71 -38.46 16.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -72.13 -57.43 4.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 127.05 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 88.01 28.47 23.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.504 ' CD1' HG23 ' A' ' 86' ' ' THR . 56.4 t80 -126.6 -45.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.504 HG23 ' CD1' ' A' ' 85' ' ' TYR . 4.6 p -136.77 -47.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.934 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.9 p -117.91 30.46 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.25 21.63 2.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.98 156.5 48.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.3 118.29 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.913 HG11 HD21 ' A' ' 71' ' ' LEU . 8.1 p -92.97 168.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.591 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.611 HD13 ' C ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -116.55 109.45 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.903 0.383 . . . . 0.0 110.268 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.867 ' SG ' ' HB3' ' A' ' 64' ' ' HIS . 14.6 p -71.26 136.3 84.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.709 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -87.69 33.97 0.41 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.824 2.35 . . . . 0.0 112.277 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -114.07 -37.49 4.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.69 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -23.61 13.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.025 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p 78.36 1.05 2.65 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.647 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -167.23 35.19 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.388 0.613 . . . . 0.0 110.683 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.867 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 9.4 t-80 -117.32 107.58 14.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.768 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 73.0 m80 -102.22 127.06 49.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.125 0.488 . . . . 0.0 112.048 -178.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.775 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -142.19 157.17 64.01 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.496 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.25 137.47 38.32 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.206 1.937 . . . . 0.0 111.852 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -51.75 -26.9 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.163 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 m -99.68 27.03 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -134.06 9.12 3.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.578 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.913 HD21 HG11 ' A' ' 56' ' ' VAL . 1.5 mm? -54.76 -48.23 72.89 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 120.761 0.315 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.93 -50.84 67.86 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -60.92 -30.04 69.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.179 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.766 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.26 -48.57 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.744 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.491 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 0.9 OUTLIER -55.53 -39.37 70.45 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 110.256 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.457 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -54.09 -21.9 9.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.324 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 m -119.16 -51.73 2.32 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.514 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 16.6 t -64.99 -43.88 91.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.046 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -76.02 -38.99 56.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.057 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -63.25 -44.46 95.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.932 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -52.94 14.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -59.15 -55.09 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.5 mtp -111.51 86.88 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.73 32.37 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.559 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 59.84 161.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.733 0.301 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 t -108.7 142.67 38.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.098 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -109.18 -38.17 5.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.746 0.307 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -149.88 -69.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -133.09 157.06 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.732 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.18 143.0 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.011 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 66' ' ' MET . 2.4 p -135.99 151.57 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.594 HD13 ' C ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -111.53 122.75 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.918 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 p -63.92 129.74 94.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.32 6.94 5.41 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.474 2.116 . . . . 0.0 111.113 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 1.9 m-85 -67.36 -10.94 56.0 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 60' ' ' TYR . 12.7 t0 97.5 74.74 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.065 0.546 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 64' ' ' HIS . 0.1 OUTLIER 173.9 137.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.826 179.76 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -68.36 67.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.146 0.498 . . . . 0.0 110.437 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 2.0 m170 -105.3 121.17 43.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.535 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -122.13 109.92 15.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.378 0.609 . . . . 0.0 110.442 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.544 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.72 157.52 61.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.457 -179.713 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.14 151.72 16.21 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 121.792 1.661 . . . . 0.0 111.343 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.531 ' HA ' HG11 ' A' ' 56' ' ' VAL . 10.5 tttp -51.77 -23.44 4.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.357 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -100.01 34.01 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.026 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -136.52 7.55 3.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.181 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 75' ' ' MET . 3.3 mm? -61.98 -48.02 82.21 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 120.645 0.26 . . . . 0.0 110.552 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.56 -47.42 73.25 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.089 0.471 . . . . 0.0 109.869 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -30.11 70.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.455 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.48 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -68.98 -48.82 62.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.22 179.356 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 4.5 mtp -55.57 -41.27 73.06 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.834 0.35 . . . . 0.0 110.185 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.95 -22.52 3.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.324 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -116.59 -50.06 2.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 25.1 t -66.04 -50.97 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.297 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.61 -39.05 46.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.289 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -34.21 77.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.163 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -81.4 -51.13 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.022 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -57.89 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 93.0 mmm 63.77 -78.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.48 -147.06 5.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -93.14 -66.8 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.3 m 60.24 92.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.8 pttp . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.969 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.9 p -106.74 155.55 19.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.2 -69.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -113.21 145.64 40.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.781 HG11 ' HB3' ' A' ' 65' ' ' HIS . 4.6 t -123.14 143.07 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 66' ' ' MET . 8.9 p -122.84 159.5 26.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.146 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' N ' HG22 ' A' ' 56' ' ' VAL . 4.4 mt -104.72 141.04 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.38 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.483 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 24.6 p -93.08 147.13 33.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.083 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -84.36 17.6 1.7 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.859 2.372 . . . . 0.0 112.714 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -108.51 -30.9 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.7 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -120.26 -32.48 4.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.364 -179.673 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 3.8 t 82.7 -54.11 0.19 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.857 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.7 42.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.256 0.55 . . . . 0.0 110.556 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -117.13 113.58 22.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.347 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.781 ' HB3' HG11 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -100.06 110.84 23.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.985 0.421 . . . . 0.0 111.067 -179.798 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.536 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.1 pmm? -137.92 150.13 66.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.649 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.77 136.82 73.08 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.291 1.994 . . . . 0.0 111.842 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.75 -26.36 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.9 t -102.14 26.47 7.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.638 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -137.05 13.58 3.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.709 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -58.29 -46.26 86.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.814 0.34 . . . . 0.0 110.343 179.767 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.7 -47.62 73.47 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.15 0.5 . . . . 0.0 110.141 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -62.21 -30.19 70.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.368 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.709 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.71 -48.73 29.83 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.453 ' HG3' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -56.0 -37.25 68.88 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.366 . . . . 0.0 110.177 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.14 -22.73 11.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.959 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -117.75 -50.93 2.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 42.3 t -66.01 -45.5 81.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -28.88 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -43.36 74.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -78.64 -45.82 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -26.02 63.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 20.5 mmt 62.12 154.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.927 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.64 49.24 0.82 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.549 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -98.9 31.17 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.6 p -109.71 100.09 9.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.7 m -107.12 153.41 22.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.95 100.93 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.32 141.17 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' HB3' ' A' ' 65' ' ' HIS . 1.7 t -118.98 135.03 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.763 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 66' ' ' MET . 7.1 p -122.59 159.57 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.508 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.8 mp -106.22 133.48 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 27.3 p -84.43 146.47 47.51 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.129 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.19 14.8 2.32 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.783 2.322 . . . . 0.0 112.439 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.411 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 13.7 m-85 -105.33 -28.65 10.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.639 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -122.66 -37.19 2.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.2 t 84.91 -48.87 0.09 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.919 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -96.0 41.48 1.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.224 0.535 . . . . 0.0 110.433 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 1.2 t-160 -117.11 127.12 53.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.269 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.557 ' HB3' HG11 ' A' ' 55' ' ' VAL . 13.3 m170 -113.19 110.76 20.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.004 0.43 . . . . 0.0 110.992 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.597 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -141.29 154.54 67.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.615 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 137.58 82.57 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.246 1.964 . . . . 0.0 111.717 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.538 ' HA ' HG11 ' A' ' 56' ' ' VAL . 6.4 tptt -51.94 -25.78 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -102.62 26.55 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.4 m -136.83 12.79 3.14 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.719 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -56.93 -46.37 82.09 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.837 0.351 . . . . 0.0 110.411 179.757 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.97 73.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.066 0.46 . . . . 0.0 110.218 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -61.96 -30.27 70.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.108 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.719 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.6 -48.47 32.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.453 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 3.2 mtt -55.41 -39.87 70.74 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.794 0.33 . . . . 0.0 110.285 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.82 -24.4 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.103 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.9 t -115.26 -50.51 2.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.564 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 48.1 t -66.01 -50.22 65.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.933 0.397 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -73.6 -39.01 64.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.129 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.46 -31.66 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -83.69 -34.59 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -71.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -82.54 161.9 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.31 155.62 6.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.412 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.5 -34.02 10.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.4 m -87.11 140.61 29.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 t 68.13 -68.46 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.743 0.306 . . . . 0.0 111.007 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -90.83 97.53 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.948 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -109.64 157.01 19.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.57 134.45 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 66' ' ' MET . 9.4 p -128.88 160.5 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.516 ' N ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -109.78 135.37 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.972 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.618 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 8.9 p -78.31 126.01 83.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.226 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.58 6.39 3.24 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.573 2.182 . . . . 0.0 112.346 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 15.2 m-85 -78.79 4.25 14.44 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.218 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 62' ' ' SER . 2.7 t0 86.16 93.61 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 122.677 0.391 . . . . 0.0 111.875 178.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.9 t 159.78 133.05 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.978 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -69.8 67.05 0.25 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.313 0.578 . . . . 0.0 109.489 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -102.16 129.47 48.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.341 -178.548 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -117.56 109.93 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.035 0.445 . . . . 0.0 110.248 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.742 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.84 157.19 61.89 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.54 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.98 136.24 75.53 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.019 1.813 . . . . 0.0 111.433 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.641 ' HA ' HG11 ' A' ' 56' ' ' VAL . 1.5 ttmt -51.79 -24.17 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.23 21.03 8.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.103 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -131.03 8.32 4.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.97 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -56.06 -29.04 59.9 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.914 0.388 . . . . 0.0 110.402 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.39 -42.73 78.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.874 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -68.4 -45.44 72.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.211 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.97 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -64.16 -48.85 74.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.14 0.495 . . . . 0.0 110.266 179.527 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.491 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 1.9 ttm -57.35 -39.94 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.127 -179.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.631 ' O ' HD13 ' A' ' 80' ' ' LEU . . . -58.0 -18.76 26.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.402 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 t -117.39 -55.75 2.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.852 0.358 . . . . 0.0 111.133 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.464 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.9 t -61.18 -43.88 98.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.45 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.0 OUTLIER -77.68 -26.66 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.154 -179.626 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -75.6 -36.26 60.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.76 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -78.72 -44.58 23.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -33.44 58.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.8 119.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.33 -115.42 3.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -136.87 155.73 49.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.0 m -66.0 143.52 57.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.894 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.6 p -101.35 150.09 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 62.63 -80.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.046 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.87 157.11 46.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.51 HG12 ' HB3' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -129.19 113.38 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 66' ' ' MET . 8.3 p -117.84 155.58 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 3.6 mp -102.35 140.95 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.488 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.603 ' HB3' ' HE3' ' A' ' 66' ' ' MET . 5.9 p -76.78 138.19 66.24 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.35 -12.94 33.04 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.745 2.297 . . . . 0.0 112.479 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 79' ' ' ARG . 63.7 m-85 -74.13 -4.72 37.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.073 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.69 113.27 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.477 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.72 34.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.339 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.1 m120 41.36 44.27 2.34 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.259 0.552 . . . . 0.0 110.662 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.48 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -97.98 129.3 44.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.614 -178.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.51 ' HB3' HG12 ' A' ' 55' ' ' VAL . 14.7 m170 -122.15 110.32 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.564 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.698 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.5 157.11 63.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.695 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.35 142.56 68.73 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.316 2.011 . . . . 0.0 111.781 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.554 ' HA ' HG11 ' A' ' 56' ' ' VAL . 1.7 tptt -51.89 -25.38 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -102.15 29.19 5.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.1 m -135.73 11.65 3.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.003 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.574 HD13 ' ND1' ' A' ' 74' ' ' HIS . 1.8 mm? -60.96 -46.11 92.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.71 -45.92 74.09 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.21 0.529 . . . . 0.0 110.066 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -64.17 -30.11 71.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.101 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.607 ' CD2' ' HB3' ' A' ' 78' ' ' CYS . 0.0 OUTLIER -72.86 -49.03 32.51 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.484 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.2 -35.48 73.67 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.781 0.324 . . . . 0.0 110.127 -179.427 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.79 -20.15 13.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.772 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -119.24 -50.5 2.35 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.005 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.607 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 42.4 t -66.07 -46.67 76.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 1.6 ttt180 -76.86 -31.61 56.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.086 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.81 -36.79 81.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -43.39 22.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -48.64 73.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.83 159.9 33.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.34 -12.3 3.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.816 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 61.84 166.7 0.1 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.842 0.354 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.6 t -107.52 -31.57 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 tttm . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.912 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.44 137.28 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -86.7 161.0 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -93.74 157.07 16.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.16 131.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 66' ' ' MET . 3.6 p -121.91 169.07 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.533 ' H ' HG22 ' A' ' 56' ' ' VAL . 1.8 mp -114.49 127.85 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.453 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.488 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 24.2 p -82.08 145.35 52.74 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.33 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 92.1 Cg_endo -83.81 16.89 1.8 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.775 2.316 . . . . 0.0 112.279 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -109.46 -19.67 13.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.65 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 62' ' ' SER . 25.1 t70 -132.71 -38.21 1.02 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.017 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 57' ' ' ILE . 4.9 t 86.17 -49.25 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 122.551 0.341 . . . . 0.0 111.29 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -95.88 41.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.236 0.541 . . . . 0.0 110.436 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.457 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.5 t-160 -117.18 117.5 29.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.473 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -104.65 110.79 23.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.989 0.423 . . . . 0.0 110.849 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.59 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.5 pmm? -142.19 151.79 59.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.691 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -56.35 137.11 78.94 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.081 1.854 . . . . 0.0 111.782 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -51.84 -26.61 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -97.03 20.31 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.843 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -127.85 6.7 6.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.808 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.749 HD13 ' ND1' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -56.01 -31.31 62.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.962 0.411 . . . . 0.0 110.514 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.32 85.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.807 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -46.85 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.409 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.749 ' ND1' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -62.64 -48.98 76.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.131 0.491 . . . . 0.0 110.194 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 6.8 ttm -58.56 -39.45 80.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.961 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.75 -19.45 27.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.093 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -116.58 -57.37 2.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.904 0.383 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.595 ' HB3' ' CD2' ' A' ' 74' ' ' HIS . 40.9 t -58.56 -45.17 89.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.3 OUTLIER -74.74 -28.34 60.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 -179.79 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -31.7 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.8 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -42.18 21.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.75 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.85 -46.18 79.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.5 mtp 61.18 177.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.94 136.99 2.74 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.539 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -71.8 166.97 20.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.757 0.313 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 86' ' ' THR . 10.5 m 60.5 40.77 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.8 p -73.82 88.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -123.65 106.06 10.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.46 157.07 36.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.681 HG11 ' HB3' ' A' ' 65' ' ' HIS . 3.1 t -131.85 143.13 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.543 ' C ' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -121.5 173.36 7.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.402 0.62 . . . . 0.0 111.886 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 56' ' ' VAL . 1.7 mp -120.03 132.72 68.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.152 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.525 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 31.5 p -89.44 142.23 29.46 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.074 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.27 4.22 6.78 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.595 2.196 . . . . 0.0 112.199 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -89.28 -39.02 13.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.403 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 62' ' ' SER . 18.3 t0 -116.88 -36.77 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.4 t 85.16 -45.18 0.07 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.335 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -95.42 39.78 1.12 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.212 0.529 . . . . 0.0 110.583 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.428 ' HB3' ' HE1' ' A' ' 66' ' ' MET . 0.4 OUTLIER -117.28 113.19 21.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.464 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.681 ' HB3' HG11 ' A' ' 55' ' ' VAL . 31.1 m170 -105.97 110.84 23.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.867 0.365 . . . . 0.0 111.037 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.438 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.19 148.13 46.81 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.047 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.02 138.24 70.19 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.375 2.05 . . . . 0.0 111.973 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' HA ' HG21 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -51.94 -24.1 5.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.473 -179.711 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 m -94.03 25.12 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -143.56 15.12 1.8 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.348 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -58.02 -47.98 81.43 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.18 71.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.229 0.537 . . . . 0.0 109.98 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -66.25 -30.13 70.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.175 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.872 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.16 -48.97 25.79 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.388 179.706 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.44 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -60.23 -32.83 71.5 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.98 -21.17 28.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.623 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 t -118.23 -50.74 2.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.515 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.6 t -63.89 -47.87 78.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -28.27 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.1 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -31.39 22.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.83 -53.11 6.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.1 ttm -105.42 48.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -146.47 -83.35 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -119.79 140.06 51.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.98 -47.49 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.881 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.7 p -88.98 71.31 8.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.808 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -157.83 50.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -83.79 157.16 22.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.39 129.44 64.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.8 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 66' ' ' MET . 3.3 p -123.34 167.72 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.255 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.507 ' H ' HG22 ' A' ' 56' ' ' VAL . 2.5 mt -114.16 137.02 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.309 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.567 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 27.3 p -94.03 143.57 26.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -83.84 12.2 3.07 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.662 2.241 . . . . 0.0 112.23 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' A' ' 75' ' ' MET . 3.8 m-85 -101.1 -30.01 11.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 62' ' ' SER . 2.9 m-20 -122.11 -32.67 3.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.909 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.8 t 82.1 -52.62 0.23 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.325 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 p30 -93.36 43.43 1.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.151 0.501 . . . . 0.0 110.789 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.407 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -117.25 133.53 55.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.398 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -122.05 110.5 15.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.895 0.379 . . . . 0.0 110.671 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.613 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.56 152.62 60.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 18.6 Cg_endo -60.71 139.45 85.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 121.891 1.727 . . . . 0.0 111.573 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -23.01 3.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.394 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -94.39 22.68 5.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.162 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.454 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 40.8 t -137.7 11.37 2.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.397 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.932 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -58.58 -30.84 67.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.896 0.379 . . . . 0.0 110.246 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.92 -38.97 79.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.794 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -71.15 -47.31 58.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.217 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.932 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.96 -48.81 78.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.12 0.486 . . . . 0.0 109.993 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.482 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 3.6 ttm -57.76 -42.69 84.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.971 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.25 -22.12 16.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.266 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -113.89 -57.45 2.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 43.2 t -58.56 -48.26 81.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.45 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.0 OUTLIER -69.26 -34.77 75.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.905 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -31.9 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.746 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -44.4 45.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.704 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.49 84.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.2 ttt -116.92 112.22 20.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 173.97 -54.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.47 ' CE2' HG23 ' A' ' 86' ' ' THR . 15.2 p90 -121.99 -42.26 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.47 HG23 ' CE2' ' A' ' 85' ' ' TYR . 1.7 p -59.91 161.27 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -162.78 117.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.15 147.66 34.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -70.84 156.43 39.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 65' ' ' HIS . 1.7 t -124.75 143.09 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 66' ' ' MET . 7.6 p -131.29 158.39 43.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.431 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.553 HD11 ' NE2' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -107.91 133.34 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.046 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.595 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 2.2 p -67.17 141.66 96.43 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.466 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -80.63 4.23 7.07 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.971 2.447 . . . . 0.0 112.602 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -81.97 6.75 15.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.585 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 62' ' ' SER . 2.5 t0 77.5 96.67 0.06 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.843 0.354 . . . . 0.0 111.565 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.9 OUTLIER 164.08 137.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.557 179.662 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.23 63.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.139 0.495 . . . . 0.0 110.2 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.523 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 1.2 t-160 -99.7 131.32 45.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.646 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.594 ' HB3' HG11 ' A' ' 55' ' ' VAL . 38.1 m80 -122.0 110.21 15.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.942 0.401 . . . . 0.0 111.059 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.545 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.58 155.0 63.83 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.281 179.453 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.09 138.67 79.3 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.05 1.833 . . . . 0.0 111.407 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.518 ' HA ' HG11 ' A' ' 56' ' ' VAL . 9.2 tttm -51.82 -23.0 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.553 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.0 33.98 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.311 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -149.41 18.34 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.565 0.221 . . . . 0.0 111.457 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.81 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.3 mm? -60.23 -44.39 95.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.878 0.37 . . . . 0.0 110.174 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.413 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.78 -46.04 74.38 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.162 0.506 . . . . 0.0 110.003 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -31.71 72.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.128 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.81 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -70.73 -48.99 51.63 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.465 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.49 -37.67 73.32 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 110.291 -179.597 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.42 -22.39 12.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.1 t -117.15 -50.97 2.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.244 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.0 t -66.12 -45.65 80.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -36.89 45.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 tp -69.09 -29.74 67.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.047 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -86.45 -47.96 8.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.992 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -44.16 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.74 38.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.15 94.91 0.1 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -153.24 45.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.75 151.43 30.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.817 0.342 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.7 HG12 ' O ' ' A' ' 66' ' ' MET . 8.7 p -124.88 165.82 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.469 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.8 mp -112.17 130.55 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.414 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.542 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 29.8 p . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.214 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.447 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.099 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -117.22 110.72 18.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.45 . . . . 0.0 110.955 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.7 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.7 pmm? -142.37 142.33 23.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.526 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 8.8 Cg_endo -51.88 140.04 49.09 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.126 1.884 . . . . 0.0 111.65 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -51.76 -23.51 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.451 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 p -99.44 29.86 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.223 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.451 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 13.0 t -146.89 17.53 1.25 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.302 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.861 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -59.7 -48.01 83.38 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.62 -45.03 73.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.054 0.454 . . . . 0.0 110.199 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.62 -31.11 71.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.99 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.861 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.49 -48.35 34.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.371 179.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.51 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 3.9 mtt -55.45 -39.86 70.84 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.824 0.345 . . . . 0.0 110.441 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.22 -24.69 7.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.233 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 m -114.41 -50.57 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.995 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 51.5 t -65.99 -51.07 61.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -34.42 64.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.99 -37.21 86.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.711 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -77.77 -40.45 40.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.607 HG12 ' HB3' ' A' ' 65' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.943 0.401 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 66' ' ' MET . 7.9 p -113.24 160.36 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.513 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.6 mp -112.34 141.03 29.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.041 0.448 . . . . 0.0 111.28 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.529 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 29.4 p . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.04 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.04 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.607 ' HB3' HG12 ' A' ' 55' ' ' VAL . 39.3 m80 -122.14 110.37 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.995 0.426 . . . . 0.0 111.391 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.728 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.72 157.27 62.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.424 179.166 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.89 135.97 64.77 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.218 1.946 . . . . 0.0 111.899 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.667 ' HA ' HG11 ' A' ' 56' ' ' VAL . 5.1 tttt -51.89 -25.89 9.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.004 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -96.4 25.45 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.796 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -137.11 13.58 3.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.891 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -57.46 -45.18 85.06 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 110.277 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.67 -44.84 73.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.229 0.538 . . . . 0.0 110.084 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -64.73 -30.16 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.098 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.891 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.71 -48.87 28.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.429 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -58.8 -35.74 73.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.814 0.34 . . . . 0.0 110.184 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.548 ' HA ' HD23 ' A' ' 80' ' ' LEU . . . -54.21 -23.02 13.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.706 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -116.62 -53.77 2.49 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.685 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.7 t -60.55 -47.99 83.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.021 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -31.39 59.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.131 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 76' ' ' ALA . 3.5 mm? -67.45 -34.19 76.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.73 -59.98 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 65' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.906 0.384 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.79 HG11 HD21 ' A' ' 71' ' ' LEU . 6.4 p -129.93 166.68 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.385 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.483 ' H ' HG22 ' A' ' 56' ' ' VAL . 1.7 mp -115.13 132.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.29 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.514 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 23.0 p . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.239 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.549 0.214 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.552 ' HB3' HG11 ' A' ' 55' ' ' VAL . 19.9 m170 -102.69 110.66 22.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.013 0.435 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.641 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.22 150.1 54.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.394 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.52 137.66 48.69 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.213 1.942 . . . . 0.0 112.055 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -51.89 -26.04 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.983 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.59 26.96 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.706 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.6 m -135.93 11.94 3.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.79 HD21 HG11 ' A' ' 56' ' ' VAL . 1.2 mm? -55.69 -46.73 77.57 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.765 0.317 . . . . 0.0 110.281 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.76 -45.13 74.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.126 0.488 . . . . 0.0 110.349 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -64.76 -30.73 71.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.258 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.742 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.36 -48.91 25.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.966 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.431 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.65 -34.43 72.81 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.276 -179.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.06 14.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 t -117.13 -51.62 2.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.564 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 36.2 t -63.72 -49.26 73.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -29.96 64.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.08 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -64.29 -48.59 75.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.795 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -73.26 -35.14 66.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.826 0.346 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 66' ' ' MET . 10.3 p -137.1 158.74 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.334 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.499 ' N ' HG22 ' A' ' 56' ' ' VAL . 3.0 mp -104.31 137.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.025 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.63 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 4.6 p . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.339 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.806 0.336 . . . . 0.0 111.616 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -122.2 110.53 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.578 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.665 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.5 pmm? -142.17 143.82 29.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.44 147.39 68.75 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 121.887 1.725 . . . . 0.0 111.482 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -22.55 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.622 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -102.22 33.54 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.409 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.0 m -147.95 16.33 1.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.595 0.236 . . . . 0.0 111.533 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.753 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.2 mm? -62.98 -48.04 80.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.843 0.354 . . . . 0.0 110.177 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 75' ' ' MET . . . -54.83 -44.69 74.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.268 0.556 . . . . 0.0 110.143 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -30.05 71.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.217 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.753 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.3 -49.11 24.41 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.07 -35.82 74.03 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.253 -179.237 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.96 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.675 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.8 t -117.68 -52.07 2.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.547 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 53.2 t -64.64 -45.97 84.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -75.5 -30.67 59.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.937 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.31 -37.84 86.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.676 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -39.09 28.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.67 0.271 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -127.51 163.32 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.327 0.584 . . . . 0.0 112.214 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.426 HD11 ' NE2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -110.77 125.95 68.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.636 178.736 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 19.5 p . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.43 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.536 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.132 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.426 ' NE2' HD11 ' A' ' 57' ' ' ILE . 40.9 m80 -122.26 109.93 15.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.51 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.5 157.09 63.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.707 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -59.96 147.59 92.21 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 121.748 1.632 . . . . 0.0 111.633 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HA ' HG21 ' A' ' 56' ' ' VAL . 2.6 tttt -51.73 -22.96 3.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.335 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.1 28.6 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.01 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.94 8.81 2.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.964 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.9 OUTLIER -59.9 -47.98 83.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.64 -46.71 73.99 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.134 0.492 . . . . 0.0 109.879 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -60.43 -30.23 69.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.456 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.702 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -68.73 -48.62 63.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.123 179.223 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 6.4 mtp -55.47 -42.02 73.77 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.298 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.32 -24.65 4.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.252 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 m -113.76 -51.39 2.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 49.6 t -66.0 -51.07 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.107 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -71.01 -30.8 67.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.04 -34.19 72.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -32.64 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.705 HG11 ' HB3' ' A' ' 65' ' ' HIS . 3.2 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.89 0.376 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 66' ' ' MET . 7.8 p -124.47 160.44 29.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.067 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.515 ' N ' HG22 ' A' ' 56' ' ' VAL . 2.1 mp -107.58 133.49 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.7 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.531 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 26.3 p . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.3 t-160 . . . . . 0 CA--C 1.523 -0.058 0 CA-C-O 120.592 0.234 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.705 ' HB3' HG11 ' A' ' 55' ' ' VAL . 15.6 m170 -106.55 110.9 23.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.987 0.422 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.618 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -141.35 148.88 52.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.655 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.8 137.37 67.67 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.255 1.97 . . . . 0.0 111.721 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.492 ' HA ' HG11 ' A' ' 56' ' ' VAL . 33.6 tttt -51.92 -25.95 9.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 m -101.27 26.44 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.641 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.3 m -137.32 12.74 3.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.083 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.901 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -57.15 -45.35 83.65 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.218 179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.423 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.77 -46.8 74.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.103 0.478 . . . . 0.0 110.084 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -30.15 71.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.283 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.901 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.58 -48.77 30.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.427 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.51 -35.61 70.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.055 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.81 -21.52 11.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -118.66 -49.84 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.77 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.49 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 41.9 t -66.05 -47.58 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -75.97 -30.17 58.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -40.1 77.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -53.63 7.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.896 0.379 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 66' ' ' MET . 7.1 p -141.96 159.26 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.365 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.505 ' N ' HG22 ' A' ' 56' ' ' VAL . 2.9 mp -103.18 141.1 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.012 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.645 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 8.0 p . . . . . 0 C--N 1.327 -0.403 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.256 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.528 ' HB3' ' HE1' ' A' ' 66' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.777 0.323 . . . . 0.0 111.617 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.461 ' NE2' HD11 ' A' ' 57' ' ' ILE . 13.0 m170 -122.18 110.51 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.568 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.617 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.51 154.2 63.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.664 179.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.21 139.95 72.06 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.024 1.816 . . . . 0.0 111.635 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.9 tttt -51.86 -24.05 5.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.394 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.0 t -100.22 31.01 3.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.02 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.02 15.71 2.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.217 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.771 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.4 mm? -60.59 -46.88 88.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.78 0.324 . . . . 0.0 110.53 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 75' ' ' MET . . . -54.91 -43.43 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.241 0.543 . . . . 0.0 109.977 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -30.16 70.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.131 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.771 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.05 -49.19 25.26 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.485 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -60.27 -33.58 72.53 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.149 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.1 -19.47 19.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.8 t -120.06 -50.49 2.26 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.495 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 52.1 t -66.09 -44.98 82.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -30.64 55.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.143 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -42.12 65.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -51.32 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.038 -179.9 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.687 HG12 ' O ' ' A' ' 66' ' ' MET . 7.3 p -127.99 158.92 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.387 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.5 ' N ' HG22 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -104.52 122.71 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.908 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.511 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 25.1 p . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.383 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.445 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 1.5 t-160 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.514 0.197 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -122.04 110.46 15.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.953 0.406 . . . . 0.0 111.044 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.687 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -142.24 152.11 60.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.366 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 15.3 Cg_endo -58.58 143.81 97.94 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.753 1.635 . . . . 0.0 111.332 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -51.72 -21.35 2.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.667 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -102.1 31.66 3.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.46 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.454 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 47.4 t -146.6 15.05 1.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.554 0.216 . . . . 0.0 111.378 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.614 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.0 OUTLIER -57.99 -45.0 87.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.64 -49.39 70.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.139 0.495 . . . . 0.0 109.995 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -30.43 66.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.353 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.66 ' HB2' ' HE2' ' A' ' 66' ' ' MET . 0.0 OUTLIER -66.23 -48.71 69.68 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.03 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 6.6 mtt -55.23 -42.29 73.21 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.012 0.434 . . . . 0.0 110.155 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.37 -21.72 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.435 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.0 m -117.79 -52.54 2.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.6 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 17.4 t -66.01 -45.01 83.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.05 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -75.91 -37.17 59.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.035 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -61.7 -40.9 96.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -80.85 -34.57 33.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.081 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.813 0.34 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 66' ' ' MET . 12.3 p -111.03 162.29 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.527 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.2 mp -108.66 139.59 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.0 110.506 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.575 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.8 p . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.183 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.1 t-160 . . . . . 0 CA--C 1.523 -0.067 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -118.89 110.54 17.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.023 0.439 . . . . 0.0 110.806 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.749 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -142.51 154.72 63.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.438 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.98 136.66 76.48 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.172 1.915 . . . . 0.0 111.697 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HA ' HG11 ' A' ' 56' ' ' VAL . 12.7 tttp -51.86 -26.69 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t -96.58 20.05 11.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -127.93 5.96 6.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.957 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -54.36 -30.23 51.02 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.999 0.428 . . . . 0.0 110.475 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.92 -42.08 81.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.834 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -46.12 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.358 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.957 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -63.33 -48.88 76.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.066 0.46 . . . . 0.0 110.103 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.482 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 4.1 ttm -57.48 -40.46 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.993 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.13 -21.0 29.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.121 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 t -114.83 -58.58 2.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.3 t -57.87 -44.32 86.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.438 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.4 OUTLIER -75.32 -27.15 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.164 -179.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.98 -31.06 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.844 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -86.83 -54.76 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.746 HG11 ' HB3' ' A' ' 65' ' ' HIS . 2.7 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.865 0.364 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 66' ' ' MET . 12.6 p -124.79 161.53 28.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.255 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.527 ' N ' HG22 ' A' ' 56' ' ' VAL . 8.4 mt -109.6 139.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.5 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 28.9 p . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.068 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.53 ' HB3' ' HE2' ' A' ' 66' ' ' MET . 1.1 t-160 . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.746 ' HB3' HG11 ' A' ' 55' ' ' VAL . 17.7 m170 -110.05 110.56 21.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 111.862 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.57 ' HE1' ' ND1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -142.43 157.04 63.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.547 178.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.52 135.01 60.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.3 2.0 . . . . 0.0 111.984 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HA ' HG11 ' A' ' 56' ' ' VAL . 21.7 tttm -51.96 -25.72 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.245 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.07 29.65 3.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.828 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 p -141.6 14.43 2.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.0 OUTLIER -56.96 -43.31 81.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.251 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.75 -46.28 74.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.159 0.504 . . . . 0.0 110.09 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -64.03 -30.22 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.137 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.872 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -72.7 -48.89 35.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.58 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -58.67 -35.48 72.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.823 0.344 . . . . 0.0 110.087 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.6 -23.51 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.746 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.7 t -115.87 -51.86 2.64 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.651 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.9 t -63.57 -46.54 85.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -38.97 36.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -65.19 -30.93 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -86.71 -38.46 16.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.9 tptt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.931 0.396 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.913 HG11 HD21 ' A' ' 71' ' ' LEU . 8.1 p -92.97 168.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.591 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.611 HD13 ' C ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -116.55 109.45 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.903 0.383 . . . . 0.0 110.268 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.867 ' SG ' ' HB3' ' A' ' 64' ' ' HIS . 14.6 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.709 -178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.867 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 9.4 t-80 . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 73.0 m80 -102.22 127.06 49.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.125 0.488 . . . . 0.0 112.048 -178.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.775 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -142.19 157.17 64.01 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.496 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.25 137.47 38.32 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.206 1.937 . . . . 0.0 111.852 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -51.75 -26.9 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.163 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 m -99.68 27.03 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -134.06 9.12 3.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.578 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.913 HD21 HG11 ' A' ' 56' ' ' VAL . 1.5 mm? -54.76 -48.23 72.89 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 120.761 0.315 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.93 -50.84 67.86 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -60.92 -30.04 69.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.179 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.766 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.26 -48.57 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.744 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.491 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 0.9 OUTLIER -55.53 -39.37 70.45 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 110.256 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.457 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -54.09 -21.9 9.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.324 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 m -119.16 -51.73 2.32 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 16.6 t -64.99 -43.88 91.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.046 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -76.02 -38.99 56.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.057 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -63.25 -44.46 95.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.932 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -52.94 14.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.027 -179.928 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.899 0.38 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 66' ' ' MET . 2.4 p -135.99 151.57 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.594 HD13 ' C ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -111.53 122.75 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.918 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 p . . . . . 0 C--N 1.33 -0.282 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 2.0 m170 . . . . . 0 CA--C 1.518 -0.277 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -122.13 109.92 15.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.378 0.609 . . . . 0.0 110.442 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.544 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.72 157.52 61.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.457 -179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.14 151.72 16.21 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 121.792 1.661 . . . . 0.0 111.343 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.531 ' HA ' HG11 ' A' ' 56' ' ' VAL . 10.5 tttp -51.77 -23.44 4.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.357 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -100.01 34.01 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.026 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -136.52 7.55 3.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.181 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 75' ' ' MET . 3.3 mm? -61.98 -48.02 82.21 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 120.645 0.26 . . . . 0.0 110.552 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.56 -47.42 73.25 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.089 0.471 . . . . 0.0 109.869 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -30.11 70.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.455 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.481 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -68.98 -48.82 62.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.22 179.356 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 4.5 mtp -55.57 -41.27 73.06 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.834 0.35 . . . . 0.0 110.185 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.95 -22.52 3.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.324 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -116.59 -50.06 2.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.481 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 25.1 t -66.04 -50.97 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.297 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.61 -39.05 46.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.289 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -34.21 77.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.163 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -81.4 -51.13 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.022 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.781 HG11 ' HB3' ' A' ' 65' ' ' HIS . 4.6 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.861 0.363 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 66' ' ' MET . 8.9 p -122.84 159.5 26.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.146 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' N ' HG22 ' A' ' 56' ' ' VAL . 4.4 mt -104.72 141.04 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.38 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.509 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.6 p . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.083 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.668 0.27 . . . . 0.0 110.347 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.781 ' HB3' HG11 ' A' ' 55' ' ' VAL . 11.7 m170 -100.06 110.84 23.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.985 0.421 . . . . 0.0 111.067 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.536 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.1 pmm? -137.92 150.13 66.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.649 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.77 136.82 73.08 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.291 1.994 . . . . 0.0 111.842 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.75 -26.36 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.9 t -102.14 26.47 7.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.638 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -137.05 13.58 3.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.903 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -58.29 -46.26 86.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.814 0.34 . . . . 0.0 110.343 179.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.7 -47.62 73.47 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.15 0.5 . . . . 0.0 110.141 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -62.21 -30.19 70.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.368 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.903 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.71 -48.73 29.83 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.453 ' HG3' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -56.0 -37.25 68.88 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.366 . . . . 0.0 110.177 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.14 -22.73 11.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.959 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -117.75 -50.93 2.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.3 t -66.01 -45.5 81.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -28.88 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -43.36 74.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -78.64 -45.82 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' HB3' ' A' ' 65' ' ' HIS . 1.7 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.857 0.361 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 66' ' ' MET . 7.1 p -122.59 159.57 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.508 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.8 mp -106.22 133.48 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.535 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 27.3 p . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.129 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.444 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.2 t-160 . . . . . 0 CA--C 1.523 -0.069 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.557 ' HB3' HG11 ' A' ' 55' ' ' VAL . 13.3 m170 -113.19 110.76 20.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.004 0.43 . . . . 0.0 110.992 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.597 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -141.29 154.54 67.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.615 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 137.58 82.57 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.246 1.964 . . . . 0.0 111.717 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.538 ' HA ' HG11 ' A' ' 56' ' ' VAL . 6.4 tptt -51.94 -25.78 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -102.62 26.55 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.4 m -136.83 12.79 3.14 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.918 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -56.93 -46.37 82.09 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.837 0.351 . . . . 0.0 110.411 179.757 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.97 73.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.066 0.46 . . . . 0.0 110.218 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -61.96 -30.27 70.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.108 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.918 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.6 -48.47 32.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.453 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.48 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 3.2 mtt -55.41 -39.87 70.74 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.794 0.33 . . . . 0.0 110.285 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.82 -24.4 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.103 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.9 t -115.26 -50.51 2.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.515 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.1 t -66.01 -50.22 65.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.933 0.397 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -73.6 -39.01 64.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.129 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.46 -31.66 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -83.69 -34.59 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.794 0.33 . . . . 0.0 110.803 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 66' ' ' MET . 9.4 p -128.88 160.5 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.516 ' N ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -109.78 135.37 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.972 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.618 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 8.9 p . . . . . 0 C--N 1.326 -0.44 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.226 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 120.448 0.166 . . . . 0.0 111.341 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -117.56 109.93 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.035 0.445 . . . . 0.0 110.248 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.742 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.84 157.19 61.89 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.54 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.98 136.24 75.53 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.019 1.813 . . . . 0.0 111.433 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.641 ' HA ' HG11 ' A' ' 56' ' ' VAL . 1.5 ttmt -51.79 -24.17 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.23 21.03 8.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.103 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -131.03 8.32 4.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.97 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -56.06 -29.04 59.9 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.914 0.388 . . . . 0.0 110.402 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.39 -42.73 78.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.874 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -68.4 -45.44 72.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.211 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.97 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -64.16 -48.85 74.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.14 0.495 . . . . 0.0 110.266 179.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.491 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 1.9 ttm -57.35 -39.94 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.127 -179.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.631 ' O ' HD13 ' A' ' 80' ' ' LEU . . . -58.0 -18.76 26.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.402 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 t -117.39 -55.75 2.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.852 0.358 . . . . 0.0 111.133 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.464 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.9 t -61.18 -43.88 98.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.45 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.0 OUTLIER -77.68 -26.66 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.154 -179.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -75.6 -36.26 60.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.76 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -78.72 -44.58 23.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.51 HG12 ' HB3' ' A' ' 65' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 66' ' ' MET . 8.3 p -117.84 155.58 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 3.6 mp -102.35 140.95 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.488 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.624 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 5.9 p . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.042 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.48 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 120.715 0.293 . . . . 0.0 111.614 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.51 ' HB3' HG12 ' A' ' 55' ' ' VAL . 14.7 m170 -122.15 110.32 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.564 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.698 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.5 157.11 63.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.35 142.56 68.73 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.316 2.011 . . . . 0.0 111.781 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.554 ' HA ' HG11 ' A' ' 56' ' ' VAL . 1.7 tptt -51.89 -25.38 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -102.15 29.19 5.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.1 m -135.73 11.65 3.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.003 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.774 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.8 mm? -60.96 -46.11 92.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.71 -45.92 74.09 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.21 0.529 . . . . 0.0 110.066 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -64.17 -30.11 71.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.101 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.774 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -72.86 -49.03 32.51 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.484 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.2 -35.48 73.67 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.781 0.324 . . . . 0.0 110.127 -179.427 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.79 -20.15 13.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.772 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -119.24 -50.5 2.35 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.005 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.4 t -66.07 -46.67 76.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -76.86 -31.61 56.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.086 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.81 -36.79 81.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -43.39 22.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.917 0.389 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 66' ' ' MET . 3.6 p -121.91 169.07 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.533 ' H ' HG22 ' A' ' 56' ' ' VAL . 1.8 mp -114.49 127.85 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.453 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.582 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.2 p . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.33 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.486 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.5 t-160 . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.514 0.197 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -104.65 110.79 23.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.989 0.423 . . . . 0.0 110.849 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.59 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.5 pmm? -142.19 151.79 59.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.691 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -56.35 137.11 78.94 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.081 1.854 . . . . 0.0 111.782 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -51.84 -26.61 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -97.03 20.31 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.843 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -127.85 6.7 6.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.808 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.949 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -56.01 -31.31 62.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.962 0.411 . . . . 0.0 110.514 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.32 85.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.807 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -46.85 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.409 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.949 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -62.64 -48.98 76.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.131 0.491 . . . . 0.0 110.194 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 6.8 ttm -58.56 -39.45 80.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.961 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.75 -19.45 27.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.093 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -116.58 -57.37 2.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.904 0.383 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.9 t -58.56 -45.17 89.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.3 OUTLIER -74.74 -28.34 60.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 -179.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -31.7 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.8 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -42.18 21.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.75 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.681 HG11 ' HB3' ' A' ' 65' ' ' HIS . 3.1 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.729 0.299 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.543 ' C ' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -121.5 173.36 7.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.402 0.62 . . . . 0.0 111.886 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 56' ' ' VAL . 1.7 mp -120.03 132.72 68.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.152 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.525 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 31.5 p . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.074 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.445 ' HB3' ' HE1' ' A' ' 66' ' ' MET . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.075 0 N-CA-C 110.464 -0.198 . . . . 0.0 110.464 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.681 ' HB3' HG11 ' A' ' 55' ' ' VAL . 31.1 m170 -105.97 110.84 23.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.867 0.365 . . . . 0.0 111.037 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.445 ' HE1' ' HB3' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -142.19 148.13 46.81 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.047 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.02 138.24 70.19 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.375 2.05 . . . . 0.0 111.973 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' HA ' HG21 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -51.94 -24.1 5.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.473 -179.711 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 m -94.03 25.12 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -143.56 15.12 1.8 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.348 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -58.02 -47.98 81.43 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.18 71.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.229 0.537 . . . . 0.0 109.98 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -66.25 -30.13 70.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.175 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.872 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.16 -48.97 25.79 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.388 179.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.44 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -60.23 -32.83 71.5 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.98 -21.17 28.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.623 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 t -118.23 -50.74 2.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.515 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.6 t -63.89 -47.87 78.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -28.27 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.1 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -31.39 22.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.813 0.339 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 66' ' ' MET . 3.3 p -123.34 167.72 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.255 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.507 ' H ' HG22 ' A' ' 56' ' ' VAL . 2.5 mt -114.16 137.02 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.309 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.567 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 27.3 p . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.407 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -122.05 110.5 15.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.895 0.379 . . . . 0.0 110.671 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.613 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.56 152.62 60.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 18.6 Cg_endo -60.71 139.45 85.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 121.891 1.727 . . . . 0.0 111.573 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -23.01 3.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.394 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -94.39 22.68 5.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.162 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.454 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 40.8 t -137.7 11.37 2.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.397 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.932 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -58.58 -30.84 67.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.896 0.379 . . . . 0.0 110.246 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.92 -38.97 79.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.794 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -71.15 -47.31 58.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.217 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.932 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.96 -48.81 78.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.12 0.486 . . . . 0.0 109.993 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.482 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 3.6 ttm -57.76 -42.69 84.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.971 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.25 -22.12 16.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.266 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -113.89 -57.45 2.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 43.2 t -58.56 -48.26 81.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.45 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.0 OUTLIER -69.26 -34.77 75.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.905 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -31.9 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.746 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -44.4 45.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.704 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 65' ' ' HIS . 1.7 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.767 0.318 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 66' ' ' MET . 7.6 p -131.29 158.39 43.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.431 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.553 HD11 ' NE2' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -107.91 133.34 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.046 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.595 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 2.2 p . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.466 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.523 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 1.2 t-160 . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 120.529 0.204 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.594 ' HB3' HG11 ' A' ' 55' ' ' VAL . 38.1 m80 -122.0 110.21 15.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.942 0.401 . . . . 0.0 111.059 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.545 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.58 155.0 63.83 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.281 179.453 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.09 138.67 79.3 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.05 1.833 . . . . 0.0 111.407 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.518 ' HA ' HG11 ' A' ' 56' ' ' VAL . 9.2 tttm -51.82 -23.0 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.553 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.0 33.98 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.311 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -149.41 18.34 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.565 0.221 . . . . 0.0 111.457 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.81 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.3 mm? -60.23 -44.39 95.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.878 0.37 . . . . 0.0 110.174 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.413 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.78 -46.04 74.38 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.162 0.506 . . . . 0.0 110.003 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -31.71 72.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.128 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.81 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -70.73 -48.99 51.63 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.465 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.49 -37.67 73.32 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 110.291 -179.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.42 -22.39 12.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.1 t -117.15 -50.97 2.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.244 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.0 t -66.12 -45.65 80.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -36.89 45.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 tp -69.09 -29.74 67.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.047 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -86.45 -47.96 8.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.992 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.928 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 m -98.94 29.64 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -105.28 166.62 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.808 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -103.07 154.53 19.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.9 137.47 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.778 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.7 HG12 ' O ' ' A' ' 66' ' ' MET . 8.7 p -124.88 165.82 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.469 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.8 mp -112.17 130.55 65.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.414 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.542 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 29.8 p -82.46 145.06 50.68 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.214 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -82.77 13.5 2.59 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.705 2.27 . . . . 0.0 112.178 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.416 ' CD2' ' HG2' ' A' ' 79' ' ' ARG . 14.3 m-85 -102.5 -28.22 12.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.494 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -124.66 -39.5 2.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.024 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.4 t 86.75 -44.81 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -97.63 40.73 1.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.234 0.54 . . . . 0.0 110.327 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.442 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 0.9 OUTLIER -117.1 131.53 56.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.288 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -117.22 110.72 18.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.45 . . . . 0.0 110.955 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.7 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.7 pmm? -142.37 142.33 23.46 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.526 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 8.8 Cg_endo -51.88 140.04 49.09 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.126 1.884 . . . . 0.0 111.65 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.5 tttp -51.76 -23.51 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.451 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.9 p -99.44 29.86 3.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.223 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.451 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 13.0 t -146.89 17.53 1.25 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.302 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.861 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -59.7 -48.01 83.38 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.62 -45.03 73.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.054 0.454 . . . . 0.0 110.199 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.62 -31.11 71.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.99 178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.861 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.49 -48.35 34.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.371 179.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.51 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 3.9 mtt -55.45 -39.86 70.84 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.824 0.345 . . . . 0.0 110.441 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.22 -24.69 7.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.233 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 m -114.41 -50.57 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.995 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.493 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 51.5 t -65.99 -51.07 61.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HG2' ' CD2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -73.68 -34.42 64.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.937 -179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.99 -37.21 86.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.711 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -77.77 -40.45 40.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -36.54 84.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 6.3 tpt -84.87 158.49 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 146.65 -97.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -161.04 77.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -158.54 149.6 20.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.31 33.59 18.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 110.996 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.77 -43.15 69.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -121.57 157.07 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.784 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.607 HG12 ' HB3' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -128.7 111.95 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.943 0.401 . . . . 0.0 111.022 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.728 HG12 ' O ' ' A' ' 66' ' ' MET . 7.9 p -113.24 160.36 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.513 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.6 mp -112.34 141.03 29.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.041 0.448 . . . . 0.0 111.28 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.529 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 29.4 p -91.38 146.94 34.35 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.04 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -84.53 13.94 2.6 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -101.24 -34.42 9.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.755 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.5 t70 -119.2 -37.38 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.5 t 85.98 -44.49 0.05 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.293 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.73 39.95 1.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.221 0.534 . . . . 0.0 110.666 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.463 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -117.11 126.28 52.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.315 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.607 ' HB3' HG12 ' A' ' 55' ' ' VAL . 39.3 m80 -122.14 110.37 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.995 0.426 . . . . 0.0 111.391 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.728 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.72 157.27 62.1 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.424 179.166 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.89 135.97 64.77 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.218 1.946 . . . . 0.0 111.899 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.667 ' HA ' HG11 ' A' ' 56' ' ' VAL . 5.1 tttt -51.89 -25.89 9.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.004 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 m -96.4 25.45 5.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.796 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.3 t -137.11 13.58 3.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.99 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.891 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -57.46 -45.18 85.06 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 110.277 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.67 -44.84 73.68 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.229 0.538 . . . . 0.0 110.084 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -64.73 -30.16 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.098 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.891 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.71 -48.87 28.78 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.429 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -58.8 -35.74 73.33 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.814 0.34 . . . . 0.0 110.184 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.548 ' HA ' HD23 ' A' ' 80' ' ' LEU . . . -54.21 -23.02 13.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.706 178.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -116.62 -53.77 2.49 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.685 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.7 t -60.55 -47.99 83.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.021 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -31.39 59.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.131 -179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 76' ' ' ALA . 3.5 mm? -67.45 -34.19 76.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.73 -59.98 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.903 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -41.7 98.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 57.8 mtp 60.28 -175.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.809 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -52.43 148.16 12.29 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.656 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -34.36 70.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 110.99 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.1 m -109.36 133.12 53.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 tttp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.871 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.8 m -100.13 -31.21 11.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.362 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -113.91 66.39 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -92.07 142.0 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 65' ' ' HIS . 1.0 OUTLIER -85.62 143.02 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.894 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.79 HG11 HD21 ' A' ' 71' ' ' LEU . 6.4 p -129.93 166.68 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.385 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.483 ' H ' HG22 ' A' ' 56' ' ' VAL . 1.7 mp -115.13 132.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.29 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.514 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 23.0 p -87.52 145.3 37.05 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.239 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -83.21 12.38 2.98 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.818 2.345 . . . . 0.0 112.335 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -99.47 -33.25 10.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -121.77 -36.24 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.098 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.2 t 86.02 -46.15 0.06 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.102 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -96.14 41.24 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.151 0.501 . . . . 0.0 110.541 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -117.12 110.19 17.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.584 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.552 ' HB3' HG11 ' A' ' 55' ' ' VAL . 19.9 m170 -102.69 110.66 22.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.013 0.435 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.641 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.22 150.1 54.15 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.394 179.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.52 137.66 48.69 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.213 1.942 . . . . 0.0 112.055 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -51.89 -26.04 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.983 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.59 26.96 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.706 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.6 m -135.93 11.94 3.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.034 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.79 HD21 HG11 ' A' ' 56' ' ' VAL . 1.2 mm? -55.69 -46.73 77.57 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-O 120.765 0.317 . . . . 0.0 110.281 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.76 -45.13 74.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.126 0.488 . . . . 0.0 110.349 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -64.76 -30.73 71.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.258 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.742 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.36 -48.91 25.08 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.966 179.852 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.431 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.65 -34.43 72.81 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.276 -179.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.05 -22.06 14.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.2 t -117.13 -51.62 2.54 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.564 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 36.2 t -63.72 -49.26 73.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -29.96 64.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.08 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER -64.29 -48.59 75.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.795 179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.6 mmm-85 -73.26 -35.14 66.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -36.01 73.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.67 173.24 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.01 -162.08 49.12 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -98.65 31.54 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.349 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.74 109.72 9.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 mttp . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.925 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 m -135.23 110.68 9.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -98.86 31.29 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -74.53 157.02 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.98 142.97 42.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 66' ' ' MET . 10.3 p -137.1 158.74 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.334 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.499 ' N ' HG22 ' A' ' 56' ' ' VAL . 3.0 mp -104.31 137.12 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.025 179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.63 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 4.6 p -69.47 138.81 88.94 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.339 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -63.77 -13.03 34.53 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.873 2.382 . . . . 0.0 112.588 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 79' ' ' ARG . 66.7 m-85 -71.44 -6.81 43.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.44 109.49 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.851 0.358 . . . . 0.0 111.22 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.99 33.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 42.48 44.85 3.67 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.121 0.486 . . . . 0.0 110.746 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 1.0 OUTLIER -98.32 137.3 37.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.616 -179.226 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -122.2 110.53 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.578 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.665 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.5 pmm? -142.17 143.82 29.14 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.641 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.44 147.39 68.75 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 121.887 1.725 . . . . 0.0 111.482 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -22.55 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.622 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.2 m -102.22 33.54 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.409 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.0 m -147.95 16.33 1.08 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.595 0.236 . . . . 0.0 111.533 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.753 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.2 mm? -62.98 -48.04 80.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.843 0.354 . . . . 0.0 110.177 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 75' ' ' MET . . . -54.83 -44.69 74.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.268 0.556 . . . . 0.0 110.143 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -30.05 71.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.217 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.753 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.3 -49.11 24.41 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.07 -35.82 74.03 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.253 -179.237 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.68 -21.96 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.675 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.8 t -117.68 -52.07 2.46 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.547 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 53.2 t -64.64 -45.97 84.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 60' ' ' TYR . 4.7 ttp180 -75.5 -30.67 59.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.31 -37.84 86.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.676 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -39.09 28.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -64.33 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -66.4 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.59 -86.73 1.51 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.575 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 61.05 104.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.809 0.338 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 80.5 p -137.01 75.77 1.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.936 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.4 103.18 7.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.822 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -83.34 136.23 34.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 67' ' ' PRO . 14.0 mt-10 -62.07 157.04 19.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.819 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.19 137.35 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.704 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 66' ' ' MET . 0.0 OUTLIER -127.51 163.32 31.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.327 0.584 . . . . 0.0 112.214 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.426 HD11 ' NE2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -110.77 125.95 68.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.636 178.736 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.536 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 19.5 p -77.11 131.27 73.03 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.43 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -73.55 3.09 5.1 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.178 1.918 . . . . 0.0 111.151 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.46 ' HD2' ' N ' ' A' ' 60' ' ' TYR . 1.1 m-85 -70.1 -11.62 61.01 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.346 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 74.21 95.6 0.07 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.766 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 63' ' ' ASN . 1.1 m 173.88 31.06 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 62' ' ' SER . 28.8 m120 34.48 70.03 0.14 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.02 0.438 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.536 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.4 OUTLIER -116.39 133.01 56.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.046 -178.429 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.426 ' NE2' HD11 ' A' ' 57' ' ' ILE . 40.9 m80 -122.26 109.93 15.06 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 177.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.51 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.5 157.09 63.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.707 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' GLU . 30.7 Cg_exo -59.96 147.59 92.21 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 121.748 1.632 . . . . 0.0 111.633 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.431 ' HA ' HG21 ' A' ' 56' ' ' VAL . 2.6 tttt -51.73 -22.96 3.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.335 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.1 28.6 5.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.01 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.94 8.81 2.55 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.964 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.702 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.9 OUTLIER -59.9 -47.98 83.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 179.697 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.64 -46.71 73.99 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.134 0.492 . . . . 0.0 109.879 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -60.43 -30.23 69.5 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.456 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.702 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -68.73 -48.62 63.33 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.123 179.223 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 6.4 mtp -55.47 -42.02 73.77 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.298 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.32 -24.65 4.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.252 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.3 m -113.76 -51.39 2.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 49.6 t -66.0 -51.07 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.107 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 60' ' ' TYR . 5.9 ttt180 -71.01 -30.8 67.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.972 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.04 -34.19 72.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.715 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -32.64 25.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -68.06 -44.13 77.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -98.35 29.33 3.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -110.9 75.78 0.22 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 61.95 158.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.83 -62.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 m -70.08 -42.36 72.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.351 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -93.33 96.04 9.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -97.29 148.06 23.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.705 HG11 ' HB3' ' A' ' 65' ' ' HIS . 3.2 t -123.55 141.38 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.618 HG12 ' O ' ' A' ' 66' ' ' MET . 7.8 p -124.47 160.44 29.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.067 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.515 ' N ' HG22 ' A' ' 56' ' ' VAL . 2.1 mp -107.58 133.49 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.7 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.531 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 26.3 p -82.96 145.62 50.12 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.049 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -83.94 18.88 1.45 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.726 2.284 . . . . 0.0 112.566 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -107.69 -30.33 8.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.907 0.384 . . . . 0.0 110.75 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 62' ' ' SER . 27.6 t0 -121.85 -37.43 2.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.273 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 3.4 t 87.07 -46.74 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.944 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -96.96 41.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.168 0.509 . . . . 0.0 110.632 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.451 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.3 t-160 -117.2 119.91 36.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.429 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.705 ' HB3' HG11 ' A' ' 55' ' ' VAL . 15.6 m170 -106.55 110.9 23.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.987 0.422 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.618 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -141.35 148.88 52.74 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.655 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.8 137.37 67.67 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.255 1.97 . . . . 0.0 111.721 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.492 ' HA ' HG11 ' A' ' 56' ' ' VAL . 33.6 tttt -51.92 -25.95 9.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.3 m -101.27 26.44 7.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.641 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.3 m -137.32 12.74 3.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.083 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.901 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -57.15 -45.35 83.65 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.802 0.334 . . . . 0.0 110.218 179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.423 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.77 -46.8 74.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.103 0.478 . . . . 0.0 110.084 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -30.15 71.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.283 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.901 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.58 -48.77 30.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.541 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.427 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.51 -35.61 70.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.841 0.353 . . . . 0.0 110.055 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.81 -21.52 11.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -118.66 -49.84 2.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.77 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.49 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 41.9 t -66.05 -47.58 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.061 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -75.97 -30.17 58.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.53 -40.1 77.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -53.63 7.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.442 ' HG2' ' CD1' ' A' ' 85' ' ' TYR . 1.0 OUTLIER -64.09 -57.5 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.8 tpt 59.88 30.55 20.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.39 -36.24 1.74 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.549 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.442 ' CD1' ' HG2' ' A' ' 82' ' ' LYS . 1.8 t80 60.86 174.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.293 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.0 m 64.03 155.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.881 179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -175.7 91.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.11 158.23 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -128.54 110.49 12.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.35 143.05 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.008 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 66' ' ' MET . 7.1 p -141.96 159.26 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.365 -179.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.505 ' N ' HG22 ' A' ' 56' ' ' VAL . 2.9 mp -103.18 141.1 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.012 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.645 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 8.0 p -78.93 137.12 57.64 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.256 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -61.73 -12.93 27.43 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.809 2.339 . . . . 0.0 112.584 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.495 ' CZ ' ' HG3' ' A' ' 79' ' ' ARG . 73.4 m-85 -72.83 -4.82 34.09 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.116 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 58.42 110.64 0.01 OUTLIER 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.799 0.333 . . . . 0.0 111.572 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.65 33.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.318 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 42.29 43.04 2.81 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.293 0.568 . . . . 0.0 110.528 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 78' ' ' CYS . 0.2 OUTLIER -95.79 129.82 42.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.617 -179.098 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.461 ' NE2' HD11 ' A' ' 57' ' ' ILE . 13.0 m170 -122.18 110.51 15.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.568 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.617 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.51 154.2 63.11 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.664 179.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.21 139.95 72.06 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.024 1.816 . . . . 0.0 111.635 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.9 tttt -51.86 -24.05 5.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.394 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 45.0 t -100.22 31.01 3.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.02 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.02 15.71 2.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.217 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.771 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.4 mm? -60.59 -46.88 88.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.78 0.324 . . . . 0.0 110.53 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' A' ' 75' ' ' MET . . . -54.91 -43.43 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.241 0.543 . . . . 0.0 109.977 179.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -30.16 70.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.131 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.771 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.05 -49.19 25.26 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.485 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -60.27 -33.58 72.53 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.149 -179.537 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.1 -19.47 19.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.8 t -120.06 -50.49 2.26 Favored 'General case' 0 CA--C 1.528 0.112 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.495 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 52.1 t -66.09 -44.98 82.82 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -77.1 -30.64 55.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.143 -179.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 -42.12 65.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.24 -51.32 18.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -71.24 -58.61 3.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.038 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.2 ttp 62.49 149.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -172.99 40.33 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.544 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -116.36 -39.67 3.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.58 153.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.5 m -118.53 28.83 8.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -115.78 83.51 1.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.761 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -85.38 157.12 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.022 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.59 134.09 60.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.475 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.687 HG12 ' O ' ' A' ' 66' ' ' MET . 7.3 p -127.99 158.92 39.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.387 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.5 ' N ' HG22 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -104.52 122.71 57.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.908 179.335 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.511 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 25.1 p -64.08 133.92 95.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.383 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -77.09 8.9 2.98 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.493 2.129 . . . . 0.0 111.928 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 75' ' ' MET . 2.8 m-30 -76.52 -0.37 22.85 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.206 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.433 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.9 OUTLIER 83.49 90.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.688 179.172 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 64' ' ' HIS . 1.1 m 160.91 138.14 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.696 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -67.95 66.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.325 0.583 . . . . 0.0 110.011 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.5 t-160 -100.53 137.19 39.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.838 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -122.04 110.46 15.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.953 0.406 . . . . 0.0 111.044 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.687 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -142.24 152.11 60.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.366 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 15.3 Cg_endo -58.58 143.81 97.94 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.753 1.635 . . . . 0.0 111.332 179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -51.72 -21.35 2.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.667 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.1 p -102.1 31.66 3.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.46 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.454 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 47.4 t -146.6 15.05 1.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.554 0.216 . . . . 0.0 111.378 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.614 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.0 OUTLIER -57.99 -45.0 87.51 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.693 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.64 -49.39 70.64 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.139 0.495 . . . . 0.0 109.995 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -30.43 66.6 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.353 178.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.66 ' HB2' ' HE2' ' A' ' 66' ' ' MET . 0.0 OUTLIER -66.23 -48.71 69.68 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.03 179.083 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 6.6 mtt -55.23 -42.29 73.21 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.012 0.434 . . . . 0.0 110.155 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.37 -21.72 6.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.435 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.0 m -117.79 -52.54 2.44 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.769 0.319 . . . . 0.0 111.38 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.594 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 17.4 t -66.01 -45.01 83.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.05 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 60' ' ' TYR . 9.5 ttt180 -75.91 -37.17 59.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.035 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.621 ' O ' HD13 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -61.7 -40.9 96.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -80.85 -34.57 33.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -71.56 -35.0 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.081 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.2 mmm 62.1 161.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.833 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -120.52 130.67 8.42 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.54 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.89 -49.74 5.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.7 p -150.12 149.7 30.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.8 tptt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.884 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m 63.3 141.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.947 0.403 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -150.74 -66.36 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.789 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -93.36 157.06 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.754 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.01 114.6 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.077 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 66' ' ' MET . 12.3 p -111.03 162.29 8.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.527 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.2 mp -108.66 139.59 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.931 0.396 . . . . 0.0 110.506 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.575 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.8 p -92.95 144.13 27.95 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.183 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.429 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 88.2 Cg_endo -83.18 12.8 2.84 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.429 ' CE2' ' HG2' ' A' ' 59' ' ' PRO . 3.4 m-85 -103.63 -27.05 12.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.493 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -123.21 -35.73 2.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 179.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 3.9 t 83.08 -51.4 0.16 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.029 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -95.0 42.26 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.248 0.547 . . . . 0.0 110.532 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.483 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.1 t-160 -117.11 132.76 56.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.274 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -118.89 110.54 17.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.023 0.439 . . . . 0.0 110.806 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.749 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -142.51 154.72 63.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.438 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.98 136.66 76.48 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.172 1.915 . . . . 0.0 111.697 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.648 ' HA ' HG11 ' A' ' 56' ' ' VAL . 12.7 tttp -51.86 -26.69 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t -96.58 20.05 11.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.8 t -127.93 5.96 6.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.895 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.957 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -54.36 -30.23 51.02 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.999 0.428 . . . . 0.0 110.475 179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.92 -42.08 81.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.834 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -46.12 67.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.358 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.957 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -63.33 -48.88 76.18 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.066 0.46 . . . . 0.0 110.103 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.482 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 4.1 ttm -57.48 -40.46 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.993 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.13 -21.0 29.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.121 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 t -114.83 -58.58 2.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.3 t -57.87 -44.32 86.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.012 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.438 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.4 OUTLIER -75.32 -27.15 59.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.164 -179.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.98 -31.06 62.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.844 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -86.83 -54.76 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -42.17 74.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 4.2 mtp 61.53 112.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -117.48 135.3 11.72 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.524 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.99 172.3 6.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.772 0.32 . . . . 0.0 110.815 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.3 p -143.26 162.78 34.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.1 mttp . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.895 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -108.85 -55.33 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -97.52 107.88 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -111.04 154.34 24.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.746 HG11 ' HB3' ' A' ' 65' ' ' HIS . 2.7 t -124.49 143.07 39.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.99 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 66' ' ' MET . 12.6 p -124.79 161.53 28.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.255 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.527 ' N ' HG22 ' A' ' 56' ' ' VAL . 8.4 mt -109.6 139.23 33.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.654 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.5 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 28.9 p -91.28 145.99 32.57 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.068 179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.38 15.61 2.07 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -102.85 -34.75 8.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.713 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 62' ' ' SER . 1.0 OUTLIER -119.91 -35.83 3.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.323 -179.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.0 t 86.2 -47.47 0.06 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.105 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -95.77 41.1 1.1 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.291 0.567 . . . . 0.0 110.544 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.53 ' HB3' ' HE2' ' A' ' 66' ' ' MET . 1.1 t-160 -117.12 114.95 24.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.056 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.746 ' HB3' HG11 ' A' ' 55' ' ' VAL . 17.7 m170 -110.05 110.56 21.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 111.862 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.57 ' HE1' ' ND1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -142.43 157.04 63.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.547 178.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.52 135.01 60.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.3 2.0 . . . . 0.0 111.984 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HA ' HG11 ' A' ' 56' ' ' VAL . 21.7 tttm -51.96 -25.72 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.245 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.07 29.65 3.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.828 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 p -141.6 14.43 2.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.334 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.0 OUTLIER -56.96 -43.31 81.45 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 110.251 179.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.75 -46.28 74.31 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.159 0.504 . . . . 0.0 110.09 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -64.03 -30.22 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.137 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.872 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -72.7 -48.89 35.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.58 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.403 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -58.67 -35.48 72.66 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.823 0.344 . . . . 0.0 110.087 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.6 -23.51 17.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.746 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.7 t -115.87 -51.86 2.64 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.651 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.9 t -63.57 -46.54 85.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -38.97 36.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -65.19 -30.93 71.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -86.71 -38.46 16.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -72.13 -57.43 4.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.41 127.05 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 88.01 28.47 23.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.504 ' CD1' HG23 ' A' ' 86' ' ' THR . 56.4 t80 -126.6 -45.01 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.504 HG23 ' CD1' ' A' ' 85' ' ' TYR . 4.6 p -136.77 -47.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.934 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 98.9 p -117.91 30.46 7.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.25 21.63 2.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.98 156.5 48.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.3 118.29 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.913 HG11 HD21 ' A' ' 71' ' ' LEU . 8.1 p -92.97 168.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.591 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.611 HD13 ' C ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -116.55 109.45 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 CA-C-O 120.903 0.383 . . . . 0.0 110.268 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.867 ' SG ' ' HB3' ' A' ' 64' ' ' HIS . 14.6 p -71.26 136.3 84.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.709 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -87.69 33.97 0.41 Allowed 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.824 2.35 . . . . 0.0 112.277 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.0 m-30 -114.07 -37.49 4.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.69 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.46 -23.61 13.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.025 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 p 78.36 1.05 2.65 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.647 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -167.23 35.19 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.388 0.613 . . . . 0.0 110.683 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.867 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 9.4 t-80 -117.32 107.58 14.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.768 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 73.0 m80 -102.22 127.06 49.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.125 0.488 . . . . 0.0 112.048 -178.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.775 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -142.19 157.17 64.01 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.496 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.25 137.47 38.32 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.206 1.937 . . . . 0.0 111.852 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -51.75 -26.9 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.163 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 m -99.68 27.03 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.77 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 m -134.06 9.12 3.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.578 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.913 HD21 HG11 ' A' ' 56' ' ' VAL . 1.5 mm? -54.76 -48.23 72.89 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 120.761 0.315 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.93 -50.84 67.86 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 110.742 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -60.92 -30.04 69.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.179 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.766 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.26 -48.57 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.744 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.491 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 0.9 OUTLIER -55.53 -39.37 70.45 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.868 0.366 . . . . 0.0 110.256 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.457 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -54.09 -21.9 9.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.324 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 m -119.16 -51.73 2.32 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.098 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.514 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 16.6 t -64.99 -43.88 91.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.046 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -76.02 -38.99 56.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.057 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -63.25 -44.46 95.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.932 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -52.94 14.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -59.15 -55.09 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.5 mtp -111.51 86.88 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.965 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -169.73 32.37 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.559 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 59.84 161.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.733 0.301 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 t -108.7 142.67 38.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.098 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -109.18 -38.17 5.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.746 0.307 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -149.88 -69.69 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -133.09 157.06 46.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.732 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.18 143.0 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.011 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 66' ' ' MET . 2.4 p -135.99 151.57 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.594 HD13 ' C ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -111.53 122.75 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.918 179.67 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 p -63.92 129.74 94.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -82.32 6.94 5.41 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.474 2.116 . . . . 0.0 111.113 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 1.9 m-85 -67.36 -10.94 56.0 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.034 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 60' ' ' TYR . 12.7 t0 97.5 74.74 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.065 0.546 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 64' ' ' HIS . 0.1 OUTLIER 173.9 137.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.826 179.76 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -68.36 67.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.146 0.498 . . . . 0.0 110.437 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 2.0 m170 -105.3 121.17 43.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.535 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -122.13 109.92 15.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.378 0.609 . . . . 0.0 110.442 178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.544 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.72 157.52 61.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.457 -179.713 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.14 151.72 16.21 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 121.792 1.661 . . . . 0.0 111.343 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.531 ' HA ' HG11 ' A' ' 56' ' ' VAL . 10.5 tttp -51.77 -23.44 4.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.357 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.1 m -100.01 34.01 2.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.026 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 m -136.52 7.55 3.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.181 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' A' ' 75' ' ' MET . 3.3 mm? -61.98 -48.02 82.21 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 120.645 0.26 . . . . 0.0 110.552 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.56 -47.42 73.25 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.089 0.471 . . . . 0.0 109.869 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -30.11 70.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.455 178.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.48 ' CE1' ' CB ' ' A' ' 58' ' ' CYS . 0.0 OUTLIER -68.98 -48.82 62.19 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.22 179.356 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 71' ' ' LEU . 4.5 mtp -55.57 -41.27 73.06 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.834 0.35 . . . . 0.0 110.185 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.95 -22.52 3.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.324 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -116.59 -50.06 2.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 25.1 t -66.04 -50.97 62.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.297 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.61 -39.05 46.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.289 -179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -34.21 77.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.163 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 -81.4 -51.13 8.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.022 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.5 -57.89 7.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.06 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 93.0 mmm 63.77 -78.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -81.48 -147.06 5.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -93.14 -66.8 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.32 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.3 m 60.24 92.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.8 pttp . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.969 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.9 p -106.74 155.55 19.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.2 -69.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -113.21 145.64 40.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.781 HG11 ' HB3' ' A' ' 65' ' ' HIS . 4.6 t -123.14 143.07 37.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 66' ' ' MET . 8.9 p -122.84 159.5 26.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.146 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' N ' HG22 ' A' ' 56' ' ' VAL . 4.4 mt -104.72 141.04 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.38 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.509 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.6 p -93.08 147.13 33.26 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.083 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -84.36 17.6 1.7 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.859 2.372 . . . . 0.0 112.714 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.42 ' HD1' ' CE1' ' A' ' 74' ' ' HIS . 20.8 m-85 -108.51 -30.9 8.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.7 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -120.26 -32.48 4.13 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.364 -179.673 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 3.8 t 82.7 -54.11 0.19 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.857 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -94.7 42.16 1.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.256 0.55 . . . . 0.0 110.556 179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.431 ' HB3' ' SG ' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -117.13 113.58 22.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.347 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.781 ' HB3' HG11 ' A' ' 55' ' ' VAL . 11.7 m170 -100.06 110.84 23.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.985 0.421 . . . . 0.0 111.067 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.536 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.1 pmm? -137.92 150.13 66.51 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.649 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.77 136.82 73.08 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.291 1.994 . . . . 0.0 111.842 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HA ' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -51.75 -26.36 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.9 t -102.14 26.47 7.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.638 179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -137.05 13.58 3.08 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.903 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -58.29 -46.26 86.44 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.814 0.34 . . . . 0.0 110.343 179.767 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.453 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.7 -47.62 73.47 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.15 0.5 . . . . 0.0 110.141 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -62.21 -30.19 70.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.368 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.903 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.71 -48.73 29.83 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.516 179.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.453 ' HG3' ' HA ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -56.0 -37.25 68.88 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.87 0.366 . . . . 0.0 110.177 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.14 -22.73 11.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.959 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.0 t -117.75 -50.93 2.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.3 t -66.01 -45.5 81.32 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -28.88 61.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -43.36 74.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -78.64 -45.82 20.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -26.02 63.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 20.5 mmt 62.12 154.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.927 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.64 49.24 0.82 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.549 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -98.9 31.17 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 44.6 p -109.71 100.09 9.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.7 m -107.12 153.41 22.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.95 100.93 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.32 141.17 40.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' HB3' ' A' ' 65' ' ' HIS . 1.7 t -118.98 135.03 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.763 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 66' ' ' MET . 7.1 p -122.59 159.57 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.508 ' N ' HG22 ' A' ' 56' ' ' VAL . 1.8 mp -106.22 133.48 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.622 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.535 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 27.3 p -84.43 146.47 47.51 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.129 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.19 14.8 2.32 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.783 2.322 . . . . 0.0 112.439 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -105.33 -28.65 10.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -122.66 -37.19 2.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.2 t 84.91 -48.87 0.09 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.919 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -96.0 41.48 1.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.224 0.535 . . . . 0.0 110.433 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.444 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.2 t-160 -117.11 127.12 53.83 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.269 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.557 ' HB3' HG11 ' A' ' 55' ' ' VAL . 13.3 m170 -113.19 110.76 20.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.004 0.43 . . . . 0.0 110.992 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.597 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.6 pmm? -141.29 154.54 67.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.615 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -57.01 137.58 82.57 Favored 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.246 1.964 . . . . 0.0 111.717 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.538 ' HA ' HG11 ' A' ' 56' ' ' VAL . 6.4 tptt -51.94 -25.78 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 t -102.62 26.55 7.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.743 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.4 m -136.83 12.79 3.14 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.918 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -56.93 -46.37 82.09 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 120.837 0.351 . . . . 0.0 110.411 179.757 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.97 73.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.066 0.46 . . . . 0.0 110.218 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -61.96 -30.27 70.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.108 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.918 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -73.6 -48.47 32.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.453 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.48 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 3.2 mtt -55.41 -39.87 70.74 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.794 0.33 . . . . 0.0 110.285 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -51.82 -24.4 6.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.103 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 25.9 t -115.26 -50.51 2.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.515 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 48.1 t -66.01 -50.22 65.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.933 0.397 . . . . 0.0 111.13 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 13.0 ttt-85 -73.6 -39.01 64.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.129 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.7 tp -65.46 -31.66 72.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -83.69 -34.59 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 -71.09 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -82.54 161.9 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.31 155.62 6.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.412 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.5 -34.02 10.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.772 0.32 . . . . 0.0 110.889 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.4 m -87.11 140.61 29.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.3 t 68.13 -68.46 0.17 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.743 0.306 . . . . 0.0 111.007 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -90.83 97.53 11.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.948 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -109.64 157.01 19.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.57 134.45 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.803 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.742 HG12 ' O ' ' A' ' 66' ' ' MET . 9.4 p -128.88 160.5 39.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.516 ' N ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -109.78 135.37 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.972 179.53 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.618 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 8.9 p -78.31 126.01 83.96 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.226 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.58 6.39 3.24 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.573 2.182 . . . . 0.0 112.346 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 75' ' ' MET . 15.2 m-85 -78.79 4.25 14.44 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.218 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 62' ' ' SER . 2.7 t0 86.16 93.61 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 122.677 0.391 . . . . 0.0 111.875 178.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.9 t 159.78 133.05 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.978 179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -69.8 67.05 0.25 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.313 0.578 . . . . 0.0 109.489 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.495 ' HB2' ' SG ' ' A' ' 58' ' ' CYS . 0.1 OUTLIER -102.16 129.47 48.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.341 -178.548 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -117.56 109.93 17.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.035 0.445 . . . . 0.0 110.248 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.742 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.84 157.19 61.89 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.54 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.98 136.24 75.53 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.019 1.813 . . . . 0.0 111.433 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.641 ' HA ' HG11 ' A' ' 56' ' ' VAL . 1.5 ttmt -51.79 -24.17 5.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.23 21.03 8.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.103 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 15.9 t -131.03 8.32 4.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.962 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.97 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -56.06 -29.04 59.9 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.914 0.388 . . . . 0.0 110.402 179.73 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.39 -42.73 78.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.874 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -68.4 -45.44 72.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.211 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.97 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -64.16 -48.85 74.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.14 0.495 . . . . 0.0 110.266 179.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.491 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 1.9 ttm -57.35 -39.94 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.127 -179.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.631 ' O ' HD13 ' A' ' 80' ' ' LEU . . . -58.0 -18.76 26.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.402 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.1 t -117.39 -55.75 2.29 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.852 0.358 . . . . 0.0 111.133 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.464 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.9 t -61.18 -43.88 98.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.084 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.45 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.0 OUTLIER -77.68 -26.66 50.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.154 -179.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.631 HD13 ' O ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER -75.6 -36.26 60.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.76 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -78.72 -44.58 23.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -33.44 58.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.8 119.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.33 -115.42 3.4 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -136.87 155.73 49.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.0 m -66.0 143.52 57.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.894 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.6 p -101.35 150.09 23.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.794 0.331 . . . . 0.0 110.942 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 62.63 -80.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.046 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.87 157.11 46.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.51 HG12 ' HB3' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -129.19 113.38 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 66' ' ' MET . 8.3 p -117.84 155.58 19.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 64' ' ' HIS . 3.6 mp -102.35 140.95 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.488 179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.624 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 5.9 p -76.78 138.19 66.24 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.042 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -63.35 -12.94 33.04 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.745 2.297 . . . . 0.0 112.479 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 79' ' ' ARG . 63.7 m-85 -74.13 -4.72 37.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.073 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.69 113.27 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.477 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.72 34.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.339 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.1 m120 41.36 44.27 2.34 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.259 0.552 . . . . 0.0 110.662 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.48 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 0.3 OUTLIER -97.98 129.3 44.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.614 -178.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.51 ' HB3' HG12 ' A' ' 55' ' ' VAL . 14.7 m170 -122.15 110.32 15.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.564 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.698 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.5 157.11 63.11 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.35 142.56 68.73 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.316 2.011 . . . . 0.0 111.781 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.554 ' HA ' HG11 ' A' ' 56' ' ' VAL . 1.7 tptt -51.89 -25.38 7.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.16 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -102.15 29.19 5.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.1 m -135.73 11.65 3.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.003 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.774 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.8 mm? -60.96 -46.11 92.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.71 -45.92 74.09 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.21 0.529 . . . . 0.0 110.066 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -64.17 -30.11 71.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.101 178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.774 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -72.86 -49.03 32.51 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.484 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -59.2 -35.48 73.67 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.781 0.324 . . . . 0.0 110.127 -179.427 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.79 -20.15 13.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.772 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.9 t -119.24 -50.5 2.35 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.005 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.54 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.4 t -66.07 -46.67 76.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 1.6 ttt180 -76.86 -31.61 56.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.086 -179.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.81 -36.79 81.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -43.39 22.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.757 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -48.64 73.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.83 159.9 33.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 138.34 -12.3 3.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.816 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 61.84 166.7 0.1 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.842 0.354 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.6 t -107.52 -31.57 8.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 tttm . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.912 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.44 137.28 33.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.859 0.361 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -86.7 161.0 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.79 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -93.74 157.07 16.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.16 131.83 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 66' ' ' MET . 3.6 p -121.91 169.07 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.078 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.533 ' H ' HG22 ' A' ' 56' ' ' VAL . 1.8 mp -114.49 127.85 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.453 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.582 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 24.2 p -82.08 145.35 52.74 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.33 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 92.1 Cg_endo -83.81 16.89 1.8 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.775 2.316 . . . . 0.0 112.279 179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 59' ' ' PRO . 4.6 m-85 -109.46 -19.67 13.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.65 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 62' ' ' SER . 25.1 t70 -132.71 -38.21 1.02 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.017 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 57' ' ' ILE . 4.9 t 86.17 -49.25 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 122.551 0.341 . . . . 0.0 111.29 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -95.88 41.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.236 0.541 . . . . 0.0 110.436 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.482 ' CG ' ' HE3' ' A' ' 66' ' ' MET . 1.5 t-160 -117.18 117.5 29.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.473 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -104.65 110.79 23.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.989 0.423 . . . . 0.0 110.849 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.59 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.5 pmm? -142.19 151.79 59.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.691 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -56.35 137.11 78.94 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.081 1.854 . . . . 0.0 111.782 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -51.84 -26.61 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -97.03 20.31 11.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.843 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 m -127.85 6.7 6.1 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.808 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.949 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.7 OUTLIER -56.01 -31.31 62.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 120.962 0.411 . . . . 0.0 110.514 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.32 85.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.807 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -46.85 64.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.409 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.949 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -62.64 -48.98 76.98 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.131 0.491 . . . . 0.0 110.194 179.491 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 6.8 ttm -58.56 -39.45 80.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.961 -179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.75 -19.45 27.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.093 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -116.58 -57.37 2.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.904 0.383 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 40.9 t -58.56 -45.17 89.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.3 OUTLIER -74.74 -28.34 60.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 -179.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.71 -31.7 63.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.8 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.87 -42.18 21.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.75 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.85 -46.18 79.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.5 mtp 61.18 177.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.94 136.99 2.74 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.539 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -71.8 166.97 20.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.757 0.313 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 86' ' ' THR . 10.5 m 60.5 40.77 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.8 p -73.82 88.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -123.65 106.06 10.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.46 157.07 36.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.792 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.681 HG11 ' HB3' ' A' ' 65' ' ' HIS . 3.1 t -131.85 143.13 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.94 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.543 ' C ' HD12 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -121.5 173.36 7.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.402 0.62 . . . . 0.0 111.886 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.543 HD12 ' C ' ' A' ' 56' ' ' VAL . 1.7 mp -120.03 132.72 68.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.152 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.525 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 31.5 p -89.44 142.23 29.46 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.074 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.27 4.22 6.78 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.595 2.196 . . . . 0.0 112.199 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -89.28 -39.02 13.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.041 0.448 . . . . 0.0 110.403 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 62' ' ' SER . 18.3 t0 -116.88 -36.77 3.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.4 t 85.16 -45.18 0.07 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.335 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -95.42 39.78 1.12 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.212 0.529 . . . . 0.0 110.583 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.428 ' HB3' ' HE1' ' A' ' 66' ' ' MET . 0.4 OUTLIER -117.28 113.19 21.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.464 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.681 ' HB3' HG11 ' A' ' 55' ' ' VAL . 31.1 m170 -105.97 110.84 23.25 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.867 0.365 . . . . 0.0 111.037 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.438 ' O ' HG23 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.19 148.13 46.81 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.047 179.737 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.02 138.24 70.19 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.375 2.05 . . . . 0.0 111.973 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' HA ' HG21 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -51.94 -24.1 5.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.473 -179.711 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.1 m -94.03 25.12 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.144 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.9 m -143.56 15.12 1.8 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.348 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.4 OUTLIER -58.02 -47.98 81.43 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.91 -42.18 71.88 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.229 0.537 . . . . 0.0 109.98 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -66.25 -30.13 70.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.175 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.872 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -74.16 -48.97 25.79 Favored 'General case' 0 C--O 1.226 -0.165 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.388 179.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.44 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -60.23 -32.83 71.5 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.98 -21.17 28.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.623 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.1 t -118.23 -50.74 2.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.515 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.6 t -63.89 -47.87 78.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -28.27 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.1 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -31.39 22.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.83 -53.11 6.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 1.1 ttm -105.42 48.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -146.47 -83.35 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.488 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -119.79 140.06 51.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.98 -47.49 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.164 -0.922 . . . . 0.0 110.881 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.7 p -88.98 71.31 8.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.898 0.38 . . . . 0.0 110.808 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.7 p30 -157.83 50.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -83.79 157.16 22.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.39 129.44 64.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.8 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 66' ' ' MET . 3.3 p -123.34 167.72 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.255 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.507 ' H ' HG22 ' A' ' 56' ' ' VAL . 2.5 mt -114.16 137.02 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.309 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.567 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 27.3 p -94.03 143.57 26.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.157 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -83.84 12.2 3.07 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.662 2.241 . . . . 0.0 112.23 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' A' ' 75' ' ' MET . 3.8 m-85 -101.1 -30.01 11.82 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.516 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 62' ' ' SER . 2.9 m-20 -122.11 -32.67 3.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.909 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 4.8 t 82.1 -52.62 0.23 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.325 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 29.1 p30 -93.36 43.43 1.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.151 0.501 . . . . 0.0 110.789 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.407 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 0.5 OUTLIER -117.25 133.53 55.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.398 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -122.05 110.5 15.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.895 0.379 . . . . 0.0 110.671 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.613 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.56 152.62 60.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.631 179.616 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 70' ' ' SER . 18.6 Cg_endo -60.71 139.45 85.66 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 121.891 1.727 . . . . 0.0 111.573 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -23.01 3.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.394 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -94.39 22.68 5.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.162 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.454 ' CB ' ' HG2' ' A' ' 67' ' ' PRO . 40.8 t -137.7 11.37 2.93 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.397 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.932 HD13 ' CD2' ' A' ' 74' ' ' HIS . 0.5 OUTLIER -58.58 -30.84 67.49 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.896 0.379 . . . . 0.0 110.246 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.92 -38.97 79.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.794 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -71.15 -47.31 58.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.217 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.932 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.96 -48.81 78.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.12 0.486 . . . . 0.0 109.993 179.372 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.482 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 3.6 ttm -57.76 -42.69 84.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.971 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.25 -22.12 16.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.266 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -113.89 -57.45 2.28 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 43.2 t -58.56 -48.26 81.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.45 ' CB ' ' HG2' ' A' ' 75' ' ' MET . 0.0 OUTLIER -69.26 -34.77 75.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.905 -179.787 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -31.9 71.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.746 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -44.4 45.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.704 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.43 -36.49 84.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.822 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.2 ttt -116.92 112.22 20.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 173.97 -54.07 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.47 ' CE2' HG23 ' A' ' 86' ' ' THR . 15.2 p90 -121.99 -42.26 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.47 HG23 ' CE2' ' A' ' 85' ' ' TYR . 1.7 p -59.91 161.27 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -162.78 117.75 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.15 147.66 34.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -70.84 156.43 39.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.594 HG11 ' HB3' ' A' ' 65' ' ' HIS . 1.7 t -124.75 143.09 39.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.783 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 66' ' ' MET . 7.6 p -131.29 158.39 43.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.431 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.553 HD11 ' NE2' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -107.91 133.34 53.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.046 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.595 ' CB ' ' CE1' ' A' ' 74' ' ' HIS . 2.2 p -67.17 141.66 96.43 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.466 -179.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -80.63 4.23 7.07 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.971 2.447 . . . . 0.0 112.602 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -81.97 6.75 15.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.585 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 62' ' ' SER . 2.5 t0 77.5 96.67 0.06 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.843 0.354 . . . . 0.0 111.565 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.9 OUTLIER 164.08 137.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.557 179.662 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -70.23 63.44 0.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.139 0.495 . . . . 0.0 110.2 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.523 ' O ' ' HA ' ' A' ' 57' ' ' ILE . 1.2 t-160 -99.7 131.32 45.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.646 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.594 ' HB3' HG11 ' A' ' 55' ' ' VAL . 38.1 m80 -122.0 110.21 15.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.942 0.401 . . . . 0.0 111.059 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.545 ' O ' HG12 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -142.58 155.0 63.83 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.281 179.453 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.09 138.67 79.3 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.05 1.833 . . . . 0.0 111.407 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.518 ' HA ' HG11 ' A' ' 56' ' ' VAL . 9.2 tttm -51.82 -23.0 4.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.553 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.0 33.98 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.311 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.2 m -149.41 18.34 0.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.565 0.221 . . . . 0.0 111.457 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.81 HD13 ' CD2' ' A' ' 74' ' ' HIS . 1.3 mm? -60.23 -44.39 95.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.878 0.37 . . . . 0.0 110.174 179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.413 ' HA ' ' HG3' ' A' ' 75' ' ' MET . . . -54.78 -46.04 74.38 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.162 0.506 . . . . 0.0 110.003 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -31.71 72.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.128 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.81 ' CD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -70.73 -48.99 51.63 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.545 179.632 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.465 ' N ' ' CG ' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -57.49 -37.67 73.32 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 110.291 -179.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.42 -22.39 12.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.1 t -117.15 -50.97 2.55 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.244 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.53 ' HB3' ' CE1' ' A' ' 74' ' ' HIS . 42.0 t -66.12 -45.65 80.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.4 -36.89 45.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 tp -69.09 -29.74 67.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.047 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -86.45 -47.96 8.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.992 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.99 -44.16 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.928 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.74 38.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.15 94.91 0.1 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 18.7 p90 -153.24 45.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.75 151.43 30.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1088 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_