data_1mm3_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 1mm3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.453 ' SD ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 121.195 0.521 . . . . 0.0 111.008 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -90.46 27.6 1.67 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.065 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -150.15 174.32 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.285 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.782 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 1.7 m -69.68 131.09 44.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.053 -176.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HG2' ' SD ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -56.34 -42.19 77.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.224 178.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.34 -55.49 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.581 0.705 . . . . 0.0 111.747 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 24.1 3.74 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.565 -1.198 . . . . 0.0 114.232 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm 30.89 65.4 0.16 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.023 -0.989 . . . . 0.0 113.018 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.646 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -77.69 -170.03 1.7 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.113 -177.1 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.89 -35.86 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.228 -0.987 . . . . 0.0 113.282 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.69 -97.37 1.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.906 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.34 126.37 29.56 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.646 HD23 ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -141.39 140.77 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.063 0.459 . . . . 0.0 111.603 -176.082 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.1 tp -118.49 115.87 25.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -113.24 163.74 14.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.468 -172.058 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -175.78 2.31 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.09 0.471 . . . . 0.0 111.161 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -114.57 19.93 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.483 0.659 . . . . 0.0 109.484 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -131.92 -55.38 0.99 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.054 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 162.72 19.6 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.793 -176.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -92.08 57.47 0.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 122.775 2.317 . . . . 0.0 112.964 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -124.29 149.09 46.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.187 176.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.642 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.8 m -124.93 144.36 50.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.848 -177.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.782 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 95.0 m-85 -137.72 -177.16 4.68 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.983 0.42 . . . . 0.0 111.174 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.687 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 43.8 m80 -83.55 -122.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 169.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.3 pt -132.22 8.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.518 168.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -153.33 22.89 0.55 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -75.92 -20.68 57.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.519 0.676 . . . . 0.0 111.056 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.647 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -100.29 172.48 7.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.183 -178.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.416 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -61.56 -51.25 78.25 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.428 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.647 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 7.3 Cg_exo -71.93 68.78 3.09 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.208 1.939 . . . . 0.0 110.819 175.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.6 148.89 30.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.986 -171.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mp -117.44 151.24 37.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.54 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -107.42 -7.53 16.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.686 0.755 . . . . 0.0 109.051 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -105.52 151.35 24.4 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.712 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.89 117.52 68.87 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -70.56 98.17 0.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.632 2.221 . . . . 0.0 111.385 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -19.2 60.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.539 -174.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.94 -95.88 1.97 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.619 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -112.36 165.32 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.84 0.352 . . . . 0.0 110.803 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.46 ' HH2' ' CD2' ' A' ' 31' ' ' TYR . 90.1 t90 -170.88 138.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.658 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.69 162.9 33.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.342 0.591 . . . . 0.0 111.366 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.94 163.79 62.03 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.161 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.417 ' HG3' ' HB3' ' A' ' 36' ' ' LEU . 51.7 Cg_endo -67.02 -46.4 3.19 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 121.815 1.676 . . . . 0.0 110.104 171.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.456 173.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.508 ' HG3' ' O ' ' A' ' 11' ' ' PHE . 12.3 ptp . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -79.3 -18.63 52.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.145 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.508 ' O ' ' HG3' ' A' ' 9' ' ' MET . 35.2 p90 -93.97 -179.44 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.499 174.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.748 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -93.04 150.94 20.18 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.273 -175.36 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' HG2' ' SD ' ' A' ' 9' ' ' MET . 12.3 mtp180 -70.8 -42.12 70.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.094 -173.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 3.3 t -83.67 -80.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.169 -176.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -84.01 71.86 10.5 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 119.299 -0.382 . . . . 0.0 110.362 173.505 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -47.4 69.48 0.0 OUTLIER 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.868 1.667 . . . . 0.0 113.101 -172.147 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.8 t0 -127.53 173.3 9.97 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.547 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.437 ' HA2' HD13 ' A' ' 21' ' ' LEU . . . -100.51 -129.92 6.83 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 177.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.72 -143.8 25.93 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.705 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.29 109.34 15.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.805 0.336 . . . . 0.0 110.286 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.437 HD13 ' HA2' ' A' ' 18' ' ' GLY . 1.8 mt -123.11 143.63 49.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.399 -176.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.99 154.97 31.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.055 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 152.88 40.37 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 121.357 -0.137 . . . . 0.0 110.832 -176.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -170.76 1.31 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.575 0.702 . . . . 0.0 111.871 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -90.16 -29.01 18.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.179 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.8 p -101.06 -58.7 1.83 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.988 -172.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -91.35 156.61 43.4 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.125 -171.54 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 4.9 Cg_endo -88.81 31.55 0.4 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.483 2.789 . . . . 0.0 111.99 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.02 149.11 21.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.21 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.748 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.5 m -115.29 147.17 40.75 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.883 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.445 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 68.1 m-85 -135.7 165.0 26.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.781 -175.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.702 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 61.7 m80 -94.87 -163.58 1.07 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 167.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.685 ' HB ' ' HB2' ' A' ' 40' ' ' LEU . 4.9 pt -108.04 20.97 4.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 119.984 -0.687 . . . . 0.0 111.09 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -145.38 12.84 1.37 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -79.36 -24.37 42.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.955 0.407 . . . . 0.0 111.114 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 ' HZ2' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -95.59 -179.04 4.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.396 -177.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.629 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 9.3 mmp_? -67.22 -55.56 15.29 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.157 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.629 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 4.1 Cg_exo -76.46 102.1 1.57 Allowed 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.293 1.995 . . . . 0.0 111.291 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.22 130.01 40.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.751 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.685 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 1.3 mp -93.52 139.07 31.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.974 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -100.66 -2.17 33.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.197 0.522 . . . . 0.0 109.994 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.3 136.52 21.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.641 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.73 120.43 75.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.21 0.528 . . . . 0.0 111.393 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.611 ' HG3' HD23 ' A' ' 40' ' ' LEU . 97.3 Cg_endo -84.48 87.71 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.054 2.503 . . . . 0.0 112.604 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -99.06 97.4 8.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.993 0.425 . . . . 0.0 110.475 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 163.25 -104.41 0.23 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.997 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.3 89.15 3.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.055 0.455 . . . . 0.0 110.184 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.555 ' HZ2' HD11 ' A' ' 36' ' ' LEU . 91.2 t90 -143.32 137.16 28.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.153 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.68 162.9 26.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.343 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.59 160.37 39.09 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.805 -168.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -102.8 17.65 0.23 Allowed 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 123.746 2.964 . . . . 0.0 110.91 172.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -83.31 4.1 28.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.575 176.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.526 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 22.9 p90 -148.26 170.92 16.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.482 -177.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -87.07 122.89 31.52 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.217 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HD2' ' HE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -61.58 -10.43 8.14 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -173.009 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.52 -69.03 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.594 0.235 . . . . 0.0 111.246 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 13.7 p -89.7 -2.26 58.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.626 0.25 . . . . 0.0 111.404 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 67.05 11.36 8.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.24 0.616 . . . . 0.0 111.642 179.738 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.588 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -98.74 149.89 22.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.852 179.256 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' A' ' 11' ' ' PHE . . . -97.18 -159.02 31.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.84 176.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.15 -129.16 8.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.066 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.52 94.89 9.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.228 0.537 . . . . 0.0 110.052 177.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 HD21 ' HA2' ' A' ' 18' ' ' GLY . 5.2 mt -105.5 148.57 27.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.115 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.803 HD22 HG21 ' A' ' 33' ' ' ILE . 1.5 mm? -99.95 126.71 46.14 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.179 174.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.3 m -89.28 137.86 31.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.749 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 45.6 m -53.34 162.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.921 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -88.34 -4.71 58.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.81 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.485 HG22 ' H ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -155.32 -51.78 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.444 -178.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -75.32 168.98 22.73 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -176.147 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -98.3 45.75 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.779 2.319 . . . . 0.0 112.767 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.85 158.92 22.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.54 -177.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.54 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -128.11 129.49 46.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.798 176.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' HE1' ' HD2' ' A' ' 13' ' ' ARG . 63.9 m-85 -125.71 164.87 19.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.213 -175.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 35' ' ' CYS . 7.8 m80 -99.33 152.07 20.35 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 168.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.803 HG21 HD22 ' A' ' 22' ' ' LEU . 1.3 pt -58.44 -38.79 72.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 123.085 0.241 . . . . 0.0 111.609 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.515 ' HA ' ' HB1' ' A' ' 39' ' ' ALA . 4.4 p80 -103.16 15.12 30.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 34.0 m -103.75 2.79 33.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.145 0.497 . . . . 0.0 110.811 177.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD12 ' HZ2' ' A' ' 48' ' ' TRP . 1.9 mt -96.15 167.04 11.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.53 172.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.628 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 2.2 mtm180 -61.73 -54.14 54.24 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.742 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.628 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 1.8 Cg_endo -79.64 63.8 8.78 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.667 2.245 . . . . 0.0 110.506 172.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 34' ' ' HIS . . . -53.69 135.85 40.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.254 -173.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.1 151.85 28.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.657 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -109.99 -1.29 17.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.086 0.47 . . . . 0.0 110.098 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -127.94 143.76 51.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.138 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -80.1 137.06 53.29 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.403 179.696 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 43' ' ' VAL . 37.8 Cg_exo -65.01 157.77 55.34 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.832 2.355 . . . . 0.0 111.891 -177.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.63 -43.4 55.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.01 -49.31 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.389 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.04 80.42 3.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.872 0.368 . . . . 0.0 111.311 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.537 ' HZ2' HD12 ' A' ' 36' ' ' LEU . 29.8 t90 -111.46 146.27 37.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.42 134.15 41.3 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.72 117.59 63.6 Favored Pre-proline 0 N--CA 1.445 -0.699 0 CA-C-O 121.092 0.472 . . . . 0.0 112.122 -172.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.09 38.98 0.78 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.76 2.307 . . . . 0.0 111.399 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.713 -176.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.959 0.409 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -87.07 41.96 1.0 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.281 0.562 . . . . 0.0 110.163 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 55.4 p90 -168.4 164.45 12.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.355 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.645 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -78.64 122.56 26.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.474 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -70.77 17.0 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.454 ' H ' ' C ' ' A' ' 12' ' ' CYS . 10.2 t -103.19 -69.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.873 0.368 . . . . 0.0 110.496 175.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.708 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 10.4 p -89.49 -7.1 55.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.603 -176.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 74.13 2.08 4.06 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.433 0.693 . . . . 0.0 112.298 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.72 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -84.05 145.3 28.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.129 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 11' ' ' PHE . . . -143.36 53.28 0.61 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.162 -1.018 . . . . 0.0 113.583 -176.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.41 -67.59 1.63 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.738 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -117.98 104.07 10.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -98.66 118.05 34.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.516 -174.459 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 139.14 30.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.479 -0.782 . . . . 0.0 108.931 172.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.64 158.79 39.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.512 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.477 ' HB2' ' H ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -81.25 -155.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.527 0.68 . . . . 0.0 111.76 -176.677 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.477 ' H ' ' HB2' ' A' ' 24' ' ' CYS . 12.3 t70 -100.35 -37.84 8.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.708 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.73 -20.48 18.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.798 -168.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.542 ' HB3' HH22 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -134.48 160.36 68.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.176 178.029 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.87 33.96 0.44 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.855 2.37 . . . . 0.0 111.434 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.533 ' OG ' ' HB2' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -68.76 100.24 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.224 -176.189 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.645 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -79.4 115.19 18.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.317 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.609 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 24.4 m-85 -132.62 171.09 14.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.587 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.72 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 9.8 m170 -107.66 153.76 22.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 171.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 pt -67.17 -21.63 28.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -113.61 4.12 15.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 89.0 m -100.96 8.4 43.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.993 0.425 . . . . 0.0 111.833 -177.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD11 ' CZ2' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -109.02 166.45 10.83 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.441 175.181 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.612 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -69.36 -54.72 10.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.208 174.546 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.612 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 2.5 Cg_endo -77.47 61.64 7.46 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.41 2.073 . . . . 0.0 110.515 172.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.45 152.69 44.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.72 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.6 mp -111.17 147.18 35.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.626 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -93.86 -0.39 55.77 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.869 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.85 167.53 21.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 15.0 p -90.18 119.57 69.24 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.351 0.596 . . . . 0.0 110.859 -178.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.561 ' HG3' HD22 ' A' ' 40' ' ' LEU . 5.5 Cg_exo -77.73 108.85 2.63 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.966 2.444 . . . . 0.0 111.52 -177.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -105.78 9.02 33.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.056 0.455 . . . . 0.0 110.169 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.95 -91.06 2.1 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.171 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -123.86 142.66 50.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.598 0.237 . . . . 0.0 110.588 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.51 ' CZ2' HD11 ' A' ' 36' ' ' LEU . 28.2 t90 -156.53 155.67 32.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.697 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -136.41 124.03 22.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.842 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.2 p -80.93 162.93 58.06 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.99 3.48 4.47 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.79 2.327 . . . . 0.0 111.899 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.704 ' HB3' HH11 ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.657 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.8 tpt . . . . . 0 C--O 1.233 0.186 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.79 83.12 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.534 ' HA ' HD23 ' A' ' 21' ' ' LEU . 1.5 p90 -174.98 164.03 3.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.755 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 6.7 m -66.02 114.88 5.52 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.53 ' HD2' ' OH ' ' A' ' 31' ' ' TYR . 36.0 mtt180 -60.5 -24.94 65.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.622 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.68 -66.6 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 111.22 -178.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.55 8.14 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HG2' ' HE2' ' A' ' 11' ' ' PHE . 14.4 mttm 39.7 43.98 1.21 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 169.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.755 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.2 p-10 -117.32 167.12 11.52 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.678 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -142.46 -165.58 10.62 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.755 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.01 -112.93 4.47 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.999 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.76 63.38 5.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.595 0.712 . . . . 0.0 109.771 176.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.739 ' HG ' ' HB2' ' A' ' 30' ' ' SER . 0.8 OUTLIER -85.92 132.25 34.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.965 -175.468 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tp -85.46 109.3 18.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 161.0 18.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.098 -171.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 9.1 t -70.18 -160.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.106 174.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.553 ' HB3' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -130.89 -31.67 1.71 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.183 175.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.63 -15.91 18.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.317 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 6.0 p -138.24 164.81 37.8 Favored Pre-proline 0 N--CA 1.453 -0.299 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 27' ' ' CYS . 95.3 Cg_endo -83.75 1.47 8.86 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.508 2.138 . . . . 0.0 113.121 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -66.94 135.77 54.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.906 0.384 . . . . 0.0 110.301 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.739 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -132.29 162.31 31.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.925 -178.088 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.674 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 79.7 m-85 -143.89 -174.41 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.102 0.477 . . . . 0.0 112.009 -171.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.761 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 47.6 m80 -79.81 -135.86 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 166.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.433 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 47.5 pt -129.28 16.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 121.889 -0.507 . . . . 0.0 109.938 167.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.652 ' HD2' ' HB2' ' A' ' 39' ' ' ALA . 8.6 t-160 -148.93 12.75 0.87 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.157 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.3 m -72.78 -43.35 62.9 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.934 -0.478 . . . . 0.0 111.62 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.23 179.9 6.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.553 -173.221 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -54.78 32.15 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.936 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 11.4 Cg_exo -69.83 94.62 0.54 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.143 1.895 . . . . 0.0 111.171 175.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.652 ' HB2' ' HD2' ' A' ' 34' ' ' HIS . . . -73.5 132.27 42.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.571 -174.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.581 ' HG ' ' HG3' ' A' ' 44' ' ' PRO . 1.5 mm? -92.56 96.63 10.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.167 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -73.7 -14.68 61.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.991 0.424 . . . . 0.0 110.629 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.85 160.5 39.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.088 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.415 ' H ' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -66.64 116.94 39.66 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.883 0.373 . . . . 0.0 110.619 -179.435 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.581 ' HG3' ' HG ' ' A' ' 40' ' ' LEU . 72.2 Cg_endo -80.93 77.86 3.88 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.854 2.369 . . . . 0.0 112.622 -176.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.83 133.12 47.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.242 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.19 -131.4 7.2 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.882 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.58 105.42 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.73 0.3 . . . . 0.0 110.378 177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -112.19 141.88 45.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.907 0.385 . . . . 0.0 110.132 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.553 ' NE2' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -130.68 141.01 50.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.043 179.673 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.617 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 11.9 p -66.4 167.25 13.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.617 ' HD2' ' HB2' ' A' ' 50' ' ' CYS . 39.9 Cg_endo -67.5 -3.88 10.94 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.824 2.35 . . . . 0.0 113.149 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.379 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 177.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -94.35 34.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.12 0.485 . . . . 0.0 110.842 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 49.8 p90 -161.06 160.99 31.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.465 177.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -81.9 126.45 31.92 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.34 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -59.25 -18.93 41.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -171.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.3 t -78.54 -67.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 9.5 p -91.09 -3.84 56.79 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.575 -174.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 69.11 1.89 3.39 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.158 0.583 . . . . 0.0 112.232 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.704 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -80.12 142.47 34.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.481 0.182 . . . . 0.0 110.622 179.049 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.599 ' HA2' ' HA ' ' A' ' 11' ' ' PHE . . . -104.5 -131.96 7.31 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.488 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.14 -141.38 16.24 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.551 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -99.63 104.0 15.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.28 169.64 9.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.843 -172.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 tp -108.45 107.1 17.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.825 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.81 154.1 22.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.021 0.438 . . . . 0.0 112.017 -171.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 52.2 t -64.84 162.47 16.17 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.426 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -103.54 -10.63 18.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.532 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.7 p -106.59 -39.53 5.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -115.43 151.74 46.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.109 176.55 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -83.05 36.2 0.61 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.76 2.306 . . . . 0.0 112.47 -176.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.65 120.08 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.098 0.475 . . . . 0.0 111.521 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -86.02 121.69 29.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.914 177.085 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 1.5 m-85 -131.89 173.21 11.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.07 0.462 . . . . 0.0 111.517 -173.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 10.3 m80 -117.78 150.99 38.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 171.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.596 HG23 ' HA ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -57.79 -26.04 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.329 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -110.14 -3.96 16.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.65 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 89.4 m -98.06 44.22 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.052 0.453 . . . . 0.0 111.511 -178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.583 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -158.19 179.53 9.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.136 177.247 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.625 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 2.3 ttp180 -61.75 -56.42 32.69 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.605 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 98.8 Cg_endo -82.52 72.05 6.21 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.058 1.838 . . . . 0.0 112.12 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.33 129.0 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.636 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -118.72 -170.69 1.95 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.282 -178.447 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -126.72 52.5 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.575 0.226 . . . . 0.0 111.082 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.596 ' HA ' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER 61.02 48.53 6.42 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.431 0.634 . . . . 0.0 110.073 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.525 ' H ' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -101.29 -59.38 0.1 Allowed Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.998 -173.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' H ' ' A' ' 43' ' ' VAL . 44.4 Cg_endo -66.48 157.55 59.98 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.309 2.673 . . . . 0.0 112.13 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -173.76 123.91 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.74 -62.42 4.39 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.825 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.94 61.83 7.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.979 0.418 . . . . 0.0 110.342 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.552 ' HZ2' HD22 ' A' ' 36' ' ' LEU . 42.2 t90 -139.19 160.46 39.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.549 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 12.0 pt20 -157.1 153.94 28.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.666 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -53.95 158.0 3.8 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-O 121.092 0.472 . . . . 0.0 111.368 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -78.92 18.45 1.01 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.239 1.96 . . . . 0.0 110.982 172.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.206 -175.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 ttt . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.777 0.322 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.52 25.05 10.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.294 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 16.4 p90 -162.98 168.83 20.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.377 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.593 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 16.2 m -67.75 123.71 21.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.694 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.748 ' HG3' HG21 ' A' ' 14' ' ' VAL . 2.1 ptp180 -63.31 -14.39 49.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.748 HG21 ' HG3' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -114.42 -68.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.583 0.706 . . . . 0.0 110.562 -178.283 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.5 10.75 3.55 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -177.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 42.87 39.81 1.88 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 167.059 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.593 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.3 p-10 -115.3 169.33 9.22 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.707 0.289 . . . . 0.0 111.31 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.59 -142.21 4.41 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.529 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.06 -119.31 4.91 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.978 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.44 97.12 9.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mt -106.47 141.86 37.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.289 -175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.521 ' HB3' ' O ' ' A' ' 32' ' ' HIS . 1.3 tp -86.85 106.08 17.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 m -106.42 133.51 51.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.716 -173.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.43 155.85 34.19 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.138 0.494 . . . . 0.0 112.301 -177.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 9.1 t70 -93.01 -12.19 31.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.997 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.73 -17.77 21.89 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.243 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.25 159.48 30.98 Favored Pre-proline 0 N--CA 1.448 -0.572 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.507 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -89.09 58.51 2.23 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.474 2.116 . . . . 0.0 113.278 -175.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -113.55 164.26 13.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.376 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -133.04 140.71 47.85 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.683 0.278 . . . . 0.0 110.95 -177.306 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.585 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 97.2 m-85 -141.88 -179.71 6.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -177.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.698 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 25.6 m80 -78.85 -120.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 168.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.428 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 50.9 pt -136.21 14.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.925 167.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.615 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . 31.2 p-80 -162.67 19.12 0.09 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -174.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.698 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -70.27 -23.66 62.92 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.257 0.551 . . . . 0.0 110.672 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.38 -178.77 5.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.607 -178.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.685 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 2.6 mtm180 -60.01 -54.57 54.06 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.536 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.685 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 4.9 Cg_exo -77.25 90.32 1.25 Allowed 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.089 1.859 . . . . 0.0 111.427 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 34' ' ' HIS . . . -71.25 133.21 45.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.84 139.25 41.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.936 0.398 . . . . 0.0 110.549 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -91.28 -30.67 16.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.98 125.23 53.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.502 175.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.38 119.29 55.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.79 60.76 7.96 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.033 2.489 . . . . 0.0 111.797 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.4 124.27 19.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.435 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.32 -142.66 10.22 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.273 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.474 ' HA ' ' HB2' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -85.5 56.16 3.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.372 0.606 . . . . 0.0 110.103 177.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.2 t90 -68.65 134.02 49.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.167 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.724 HE21 ' N ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -103.55 140.22 37.82 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -178.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.724 ' N ' HE21 ' A' ' 49' ' ' GLN . 0.0 OUTLIER -61.72 121.26 63.41 Favored Pre-proline 0 N--CA 1.447 -0.582 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -177.241 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -91.27 17.03 1.45 Allowed 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 123.18 2.587 . . . . 0.0 110.457 167.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HB2' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -173.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.733 ' HB2' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.173 0.511 . . . . 0.0 112.096 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.54 24.74 7.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.693 174.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.681 ' HA ' HD13 ' A' ' 21' ' ' LEU . 30.7 p90 -161.04 162.42 31.7 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.82 -177.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.739 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -75.33 114.07 13.43 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.706 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.44 ' HB3' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -62.01 -13.71 28.44 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.297 -173.71 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.77 -41.22 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.491 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 11.5 p -125.67 -7.46 6.81 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.733 -176.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 70.53 24.4 4.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.316 0.646 . . . . 0.0 111.721 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.883 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 8.2 t0 -107.25 160.29 15.71 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.76 0.314 . . . . 0.0 111.356 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.11 -168.33 21.39 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.645 174.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.74 -118.08 3.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.767 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -77.97 85.86 4.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.681 HD13 ' HA ' ' A' ' 11' ' ' PHE . 84.6 mt -105.45 109.31 21.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.152 -172.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.48 HD11 HG21 ' A' ' 33' ' ' ILE . 6.3 mt -78.38 121.2 24.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.18 171.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.14 128.8 35.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.776 0.322 . . . . 0.0 111.159 -176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 m -47.71 145.85 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.876 177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -81.2 -43.27 19.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.309 0.576 . . . . 0.0 110.377 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -100.54 -27.99 13.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.537 -175.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 170.28 5.51 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.196 -172.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -96.48 13.79 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.638 2.225 . . . . 0.0 112.21 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.733 ' HA ' ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -87.65 167.81 13.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.302 0.572 . . . . 0.0 111.92 -175.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.739 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -128.47 150.86 49.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.555 ' HE1' ' HD3' ' A' ' 52' ' ' ARG . 37.2 m-85 -135.62 157.38 47.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.855 0.36 . . . . 0.0 111.634 -173.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.883 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 5.4 m80 -98.73 145.35 27.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.48 HG21 HD11 ' A' ' 22' ' ' LEU . 1.7 pt -68.78 -10.67 13.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 7.18 10.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.106 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 15.2 m -103.32 5.51 37.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 110.792 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' A' ' 31' ' ' TYR . 3.1 mt -102.34 172.94 6.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.053 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.766 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -72.07 -57.74 3.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.165 176.075 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.766 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 6.9 Cg_endo -83.25 82.62 2.06 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.341 2.027 . . . . 0.0 110.8 173.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.01 147.73 52.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.663 -173.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mp -108.66 143.24 38.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.557 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -95.9 1.2 52.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 110.264 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.15 159.56 41.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.539 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.88 110.63 59.84 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.618 0.247 . . . . 0.0 110.909 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.14 177.3 4.55 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.826 2.35 . . . . 0.0 111.605 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -86.77 -159.99 0.54 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.589 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.48 33.93 2.27 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.939 176.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 45' ' ' ASP . 18.6 mt-10 -127.2 61.69 1.36 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 22' ' ' LEU . 61.7 t90 -137.13 134.76 36.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.568 -174.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.37 129.61 55.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.293 0.568 . . . . 0.0 110.28 177.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.16 136.29 89.22 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.335 -173.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.89 11.3 3.37 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.034 2.489 . . . . 0.0 111.646 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HD3' ' HE1' ' A' ' 31' ' ' TYR . 3.5 ttt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.587 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.086 0.469 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -89.71 37.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.927 -178.524 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -160.85 168.15 25.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.688 ' HB2' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -83.63 120.43 25.96 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -57.79 -26.23 61.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.411 -172.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.0 t -66.3 -73.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.636 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 8.5 p -83.46 -7.24 59.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.617 0.246 . . . . 0.0 111.433 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm 72.36 0.94 3.77 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.526 0.73 . . . . 0.0 112.074 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.636 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 2.8 t0 -79.82 149.93 30.86 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.755 0.312 . . . . 0.0 110.966 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.4 -117.49 3.83 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.211 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.79 -132.96 18.35 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.618 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -91.99 121.11 33.26 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.96 166.14 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.562 -174.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 116.23 31.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.291 -1.004 . . . . 0.0 108.291 172.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 m -91.34 153.71 19.72 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.392 -172.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.583 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 63.9 m -51.93 159.35 0.87 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.93 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -96.05 -9.78 30.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.422 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -118.33 -64.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.031 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.583 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -80.41 167.14 35.18 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.507 -177.014 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -93.69 31.05 0.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 122.887 2.392 . . . . 0.0 112.198 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.8 167.82 10.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.082 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.665 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 3.4 m -124.28 146.63 48.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.855 177.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.688 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 25.4 m-85 -137.32 168.12 20.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.09 0.471 . . . . 0.0 112.024 -174.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.586 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 21.2 m80 -115.77 153.67 31.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 170.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 pt -71.5 -20.48 21.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -106.58 0.23 24.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 74.7 m -100.31 17.35 21.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.963 0.411 . . . . 0.0 111.858 -176.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -118.18 170.37 8.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.783 175.036 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -68.5 -57.13 8.94 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.269 175.062 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' CB ' ' A' ' 37' ' ' ARG . 3.6 Cg_exo -76.05 63.74 6.88 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.4 2.067 . . . . 0.0 110.814 174.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.24 148.15 37.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.608 -174.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mp -120.34 157.25 29.63 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.012 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.54 -10.0 20.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.481 . . . . 0.0 109.89 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -132.91 167.97 19.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.744 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 3.7 t -95.24 121.9 61.0 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HB2' ' HB2' ' A' ' 48' ' ' TRP . 5.7 Cg_exo -79.84 73.92 5.79 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.201 2.601 . . . . 0.0 111.563 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.02 117.11 13.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.545 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.13 -89.02 0.5 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.994 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -88.04 105.53 17.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.906 0.384 . . . . 0.0 111.571 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.525 ' HB2' ' HB2' ' A' ' 44' ' ' PRO . 60.5 t90 -167.13 130.55 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.617 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.85 128.3 51.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.76 130.8 94.64 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.854 -175.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.91 37.82 0.52 Allowed 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.872 2.382 . . . . 0.0 111.985 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.566 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.502 ' SD ' ' HA ' ' A' ' 29' ' ' SER . 16.7 ptm . . . . . 0 C--O 1.233 0.219 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.57 37.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.481 0.658 . . . . 0.0 110.435 -178.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.467 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 5.0 p90 -162.85 164.32 26.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.231 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.624 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.36 156.21 16.61 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.76 -175.276 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -74.43 -39.73 62.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -173.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.721 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 39.0 t -83.28 -82.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.661 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -82.41 76.04 9.3 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 118.91 -0.566 . . . . 0.0 110.237 172.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.624 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 4.8 mttt -49.01 64.79 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.836 1.654 . . . . 0.0 113.422 -171.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.531 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 4.3 t70 -119.78 166.6 13.04 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.512 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.72 -116.99 3.38 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.68 -131.44 21.45 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.093 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.06 104.1 16.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.9 mt -109.66 113.77 26.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.666 -175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.74 120.68 22.24 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 169.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.65 144.62 31.21 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.919 -174.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.655 ' SG ' ' HB2' ' A' ' 29' ' ' SER . 26.5 m -56.35 155.38 7.04 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.575 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' HB3' ' OE1' ' A' ' 49' ' ' GLN . 39.1 t70 -71.2 -77.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -100.78 19.49 17.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.262 0.553 . . . . 0.0 110.953 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.528 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 1.6 t -128.61 145.98 58.29 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -91.19 52.22 0.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.677 2.251 . . . . 0.0 113.016 -171.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.655 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 1.2 m -131.15 162.99 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.849 0.357 . . . . 0.0 111.075 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 m -137.54 145.16 42.58 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.31 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.535 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 96.9 m-85 -137.91 179.37 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.249 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.724 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 53.9 m80 -99.32 -141.37 0.32 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 pt -123.58 12.62 5.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.299 171.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.56 23.08 1.97 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.564 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.724 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -89.03 -57.61 2.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.186 0.517 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.569 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -80.08 161.04 25.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.818 -176.618 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -51.11 84.16 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.427 178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.569 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 73.7 Cg_endo -73.9 64.39 4.99 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.799 1.666 . . . . 0.0 110.989 174.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 158.43 14.18 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.624 -173.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' HG ' ' CG ' ' A' ' 44' ' ' PRO . 1.9 mm? -105.38 127.42 52.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.075 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -82.11 -24.41 35.17 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -134.09 151.48 51.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.018 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.61 120.54 81.23 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.769 0.318 . . . . 0.0 111.049 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.508 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 13.0 Cg_exo -71.95 145.52 45.36 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.095 2.53 . . . . 0.0 112.05 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -150.48 129.76 12.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.346 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.16 -90.52 0.35 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 78.62 1.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.895 0.378 . . . . 0.0 110.451 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -106.02 112.38 25.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.725 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.437 ' OE1' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -101.88 135.16 43.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.286 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -76.06 143.61 74.18 Favored Pre-proline 0 C--N 1.318 -0.796 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -171.258 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 97.5 Cg_endo -100.24 26.28 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.167 0 C-N-CA 123.55 2.833 . . . . 0.0 111.616 176.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.113 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -83.24 -21.52 33.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.393 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -101.3 160.44 14.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.752 176.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.807 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -71.99 143.32 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.915 -177.31 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 -67.58 -51.1 54.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.724 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 2.4 t -68.42 -75.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.78 30.65 0.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 20.1 mtpt 22.38 58.88 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.789 1.236 . . . . 0.0 113.923 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.868 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 28.4 t70 -150.8 158.36 44.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.721 -176.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.75 -132.79 6.23 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.12 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.8 -82.81 1.18 Allowed Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.533 ' O ' ' HA ' ' A' ' 32' ' ' HIS . 1.3 tp10 -84.03 89.54 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -110.85 97.16 6.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.976 -0.557 . . . . 0.0 112.296 -169.368 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD11 HG23 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -83.15 154.69 24.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.969 169.768 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.42 130.39 47.64 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.981 -178.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.25 147.07 8.23 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 123.764 0.665 . . . . 0.0 111.026 176.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.608 ' HB2' ' HA ' ' A' ' 49' ' ' GLN . 36.9 t70 -64.96 -68.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.611 -177.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.8 t -114.27 0.16 14.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.446 0.641 . . . . 0.0 110.835 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 165.13 14.7 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.601 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -97.12 26.84 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.834 2.356 . . . . 0.0 112.582 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.27 175.53 5.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.318 0.58 . . . . 0.0 111.019 -177.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.807 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 2.6 m -128.34 158.28 38.68 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 14.2 m-85 -140.54 173.27 11.66 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.133 -174.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.868 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 17.5 m80 -91.79 -152.82 0.31 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 168.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.471 HD11 HG22 ' A' ' 33' ' ' ILE . 20.8 pt -114.1 11.94 8.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 167.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 13.3 p-80 -150.33 24.45 0.81 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.688 -174.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.795 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 3.1 m -78.04 -30.01 49.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.098 0.475 . . . . 0.0 110.248 175.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' H ' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -99.91 172.83 6.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.196 -173.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.632 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 1.1 tpm_? -70.52 -53.06 10.3 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.993 177.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.632 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 4.5 Cg_exo -77.43 59.74 6.8 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.402 2.068 . . . . 0.0 111.136 175.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 34' ' ' HIS . . . -79.09 177.9 8.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.423 -175.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.451 HD13 ' HD3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -132.94 168.79 17.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.652 178.53 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.32 -14.95 15.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.296 0.57 . . . . 0.0 109.834 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -121.46 169.55 10.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.198 175.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.37 123.67 45.62 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-O 120.838 0.352 . . . . 0.0 110.219 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' HD13 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -63.4 154.73 66.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.758 2.305 . . . . 0.0 112.089 -177.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -112.24 114.98 28.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.398 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.98 -114.69 4.1 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.56 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.73 149.78 25.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.855 0.36 . . . . 0.0 111.247 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -157.76 104.79 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.018 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.608 ' HA ' ' HB2' ' A' ' 25' ' ' ASP . 1.8 tm0? -86.47 110.42 19.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.9 112.55 6.96 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.674 -174.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.98 52.43 3.79 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.717 2.278 . . . . 0.0 112.269 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.599 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.073 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.64 ' HB3' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.828 0.347 . . . . 0.0 111.199 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.09 40.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.351 0.596 . . . . 0.0 110.021 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 21.8 p90 -157.99 165.67 34.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.365 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.623 ' HA ' ' O ' ' A' ' 30' ' ' SER . 57.0 m -64.26 140.53 58.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.831 0.348 . . . . 0.0 111.459 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -24.97 59.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.217 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -104.38 -67.06 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.417 0.627 . . . . 0.0 110.848 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -77.79 -0.9 28.86 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 3.5 mttt 45.69 25.89 0.3 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 169.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.53 ' CG ' ' HG ' ' A' ' 12' ' ' CYS . 7.5 p-10 -93.77 159.69 15.09 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.762 0.315 . . . . 0.0 110.547 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.568 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -124.87 35.91 3.0 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.025 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.96 -115.03 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.875 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.8 105.64 3.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 175.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.63 ' HG ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -106.38 105.39 15.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.373 0.606 . . . . 0.0 112.141 -170.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.425 HD23 HG21 ' A' ' 33' ' ' ILE . 5.7 tp -101.13 115.87 31.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.71 173.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 29' ' ' SER . 1.7 m -112.46 149.87 32.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.08 -169.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.87 167.54 21.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.392 175.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -95.52 -23.92 16.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 0.0 110.676 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -81.22 -36.76 29.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.29 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 149.17 47.16 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.052 -175.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.82 35.49 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.975 2.45 . . . . 0.0 112.565 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -104.38 164.15 11.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.5 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.63 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 1.1 m -133.61 152.55 51.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.384 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -141.59 -176.77 4.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.437 . . . . 0.0 111.624 -174.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.785 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 22.0 m80 -82.6 -144.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 165.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.425 HG21 HD23 ' A' ' 22' ' ' LEU . 7.3 pt -117.47 12.74 7.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.567 165.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.406 ' CB ' ' HB1' ' A' ' 39' ' ' ALA . 22.1 p-80 -157.39 24.33 0.29 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -173.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.785 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -71.79 -43.84 65.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.124 0.488 . . . . 0.0 111.126 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' H ' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.81 169.07 16.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.787 -176.792 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.661 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 16.4 tpt180 -52.13 -53.11 55.72 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.196 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.661 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 6.6 Cg_exo -74.55 68.79 5.3 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.349 2.033 . . . . 0.0 111.634 178.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.406 ' HB1' ' CB ' ' A' ' 34' ' ' HIS . . . -68.74 141.2 55.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.524 -176.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -97.01 155.38 16.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.248 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.76 15.7 21.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.483 0.658 . . . . 0.0 109.624 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -153.07 165.32 35.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.168 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.7 t -95.6 110.29 50.29 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.497 0.189 . . . . 0.0 110.549 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.75 93.96 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.003 2.469 . . . . 0.0 111.807 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -90.58 104.58 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.671 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 147.28 -77.43 0.25 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.6 111.44 7.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.948 0.404 . . . . 0.0 110.769 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -124.93 143.61 50.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.979 0.419 . . . . 0.0 110.815 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 50' ' ' CYS . 7.2 tp60 -139.66 133.14 30.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.786 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 49' ' ' GLN . 29.5 p -70.71 168.13 22.45 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.074 178.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -59.92 -48.39 12.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.844 1.696 . . . . 0.0 110.171 172.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 114.237 -1.347 . . . . 0.0 108.193 173.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttm . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -101.97 25.89 8.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.134 0.492 . . . . 0.0 110.314 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.497 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 44.8 p90 -164.79 155.18 14.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.585 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.641 ' HB2' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.97 118.6 20.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.539 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' H ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -62.11 -17.6 58.24 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -172.718 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' HD1' ' A' ' 31' ' ' TYR . 88.0 t -67.79 -45.28 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 11.3 p -123.93 -0.92 8.4 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 72.67 -4.03 2.21 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.309 0.643 . . . . 0.0 112.177 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.707 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -84.32 147.57 27.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.582 0.229 . . . . 0.0 110.875 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.443 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -108.76 -151.54 14.96 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.704 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.31 -112.55 4.03 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.121 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.68 84.0 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.7 ' HG ' ' HB2' ' A' ' 30' ' ' SER . 0.0 OUTLIER -97.43 104.06 16.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.712 -173.122 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.87 113.83 20.07 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.94 149.29 30.86 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.341 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -61.67 160.65 11.21 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 178.676 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.76 -78.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 111.561 -175.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 t -93.93 6.08 49.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.429 0.633 . . . . 0.0 110.568 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 4.8 t -111.9 135.23 21.23 Favored Pre-proline 0 N--CA 1.445 -0.681 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 90.2 Cg_endo -91.44 55.78 0.93 Allowed 'Trans proline' 0 C--N 1.329 -0.469 0 C-N-CA 123.303 2.669 . . . . 0.0 113.288 -169.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -128.28 127.07 42.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.123 0.487 . . . . 0.0 111.479 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.7 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -97.21 137.56 36.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.888 -177.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.641 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 51.1 m-85 -137.2 175.47 9.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.044 0.45 . . . . 0.0 111.107 -177.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.666 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 13.1 m80 -109.21 142.35 40.16 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 168.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.7 pt -58.13 -30.62 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.193 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -97.89 -0.27 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.61 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 15.5 m -94.63 -21.45 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.003 0.43 . . . . 0.0 110.621 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.11 155.76 38.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.186 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -55.96 -57.09 24.0 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.116 -179.428 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 40.6 Cg_endo -84.73 74.42 4.05 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 121.943 1.762 . . . . 0.0 110.676 173.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.8 128.69 18.73 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.204 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.705 HD23 ' HG3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -99.93 137.9 37.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.125 179.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -86.95 -19.71 28.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.98 0.419 . . . . 0.0 110.523 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.46 150.61 50.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.851 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -71.74 120.13 78.23 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.448 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.705 ' HG3' HD23 ' A' ' 40' ' ' LEU . 52.6 Cg_exo -55.24 147.33 55.86 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.219 2.613 . . . . 0.0 112.941 -176.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.35 138.01 47.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.122 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.92 -108.82 2.61 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.593 173.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 133.19 37.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.569 0.223 . . . . 0.0 111.038 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.468 ' HE3' ' HA ' ' A' ' 24' ' ' CYS . 42.9 t90 -163.47 125.94 2.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.207 0.527 . . . . 0.0 110.769 174.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' HA ' HE21 ' A' ' 49' ' ' GLN . 0.1 OUTLIER -132.43 151.95 51.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.174 174.207 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 145.34 96.95 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-O 121.161 0.505 . . . . 0.0 112.258 -172.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.79 -25.71 7.5 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.691 2.261 . . . . 0.0 112.203 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.532 179.263 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 11' ' ' PHE . 60.5 mtm . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.133 0.492 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.34 41.21 0.52 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.449 0.642 . . . . 0.0 110.351 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.535 ' HA ' HD12 ' A' ' 21' ' ' LEU . 15.5 p90 -152.79 167.1 30.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.791 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -71.08 117.21 12.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.686 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.587 ' NH2' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -83.29 20.7 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.401 0.62 . . . . 0.0 109.387 170.79 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.442 ' H ' ' C ' ' A' ' 12' ' ' CYS . 2.2 t -119.09 -53.13 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.669 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 7.3 p -113.16 -0.12 14.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.524 -176.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.61 12.39 8.67 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.364 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.633 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 8.1 t70 -79.59 137.71 37.22 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.918 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' HA2' HD13 ' A' ' 21' ' ' LEU . . . -126.27 28.26 4.85 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.304 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.71 -96.41 0.76 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.87 113.59 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -138.03 176.42 8.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.062 0.458 . . . . 0.0 110.835 -175.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.68 130.83 51.18 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -89.31 169.12 11.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.751 -171.192 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 17.9 t -76.87 -178.81 5.07 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.588 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.13 -11.92 12.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.582 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 -19.97 4.62 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.218 -174.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 18.7 p -128.97 155.19 80.07 Favored Pre-proline 0 C--N 1.328 -0.365 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.231 173.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -81.8 56.44 5.9 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.626 2.217 . . . . 0.0 112.262 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.74 155.24 41.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.843 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.588 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.8 m -122.7 145.48 48.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -129.25 171.91 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.09 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 8.4 m80 -101.65 165.69 11.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 163.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.487 HG22 HG22 ' A' ' 43' ' ' VAL . 11.4 pt -76.68 -10.8 13.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 118.595 0.634 . . . . 0.0 110.434 178.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.57 12.39 16.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.842 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 9.2 m -110.46 32.11 5.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.526 -178.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD22 HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -136.87 156.43 48.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.311 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.491 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -54.76 -58.48 14.18 Favored Pre-proline 0 CA--C 1.535 0.391 0 O-C-N 123.262 0.351 . . . . 0.0 111.531 -177.196 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 83.3 Cg_endo -84.52 65.1 6.72 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.009 1.806 . . . . 0.0 111.229 175.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.5 137.4 6.68 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.015 -174.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.432 HD12 HD22 ' A' ' 36' ' ' LEU . 1.1 mt -81.67 156.73 24.92 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.4 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -98.05 -9.59 25.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.238 0.542 . . . . 0.0 109.957 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.02 171.89 14.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.753 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 33' ' ' ILE . 43.6 t -86.75 119.18 71.1 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.258 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -58.02 104.12 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.878 2.386 . . . . 0.0 112.459 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -82.07 86.26 6.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.093 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.84 -144.98 15.78 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.971 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.43 128.54 33.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.716 0.293 . . . . 0.0 110.349 -178.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -131.71 148.88 52.62 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -126.01 135.01 51.3 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 3.1 p -67.86 153.57 94.99 Favored Pre-proline 0 C--O 1.238 0.464 0 CA-C-O 121.224 0.535 . . . . 0.0 111.043 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 6.1 Cg_exo -79.85 10.88 2.95 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.109 2.539 . . . . 0.0 111.874 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.587 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 7.0 mmt-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.993 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.3 40.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.923 0.392 . . . . 0.0 111.34 -176.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.483 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 45.7 p90 -168.81 154.93 6.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.285 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 30' ' ' SER . 76.9 m -61.18 146.35 47.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.265 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 28.0 mtt-85 -72.19 -17.62 61.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 174.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -109.53 -74.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.12 0.486 . . . . 0.0 110.669 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.58 12.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' N ' ' HB2' ' A' ' 12' ' ' CYS . 0.7 OUTLIER 40.81 32.14 0.15 Allowed 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 166.027 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 11' ' ' PHE . 7.1 p-10 -118.36 162.63 17.99 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.499 -174.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.847 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -124.55 -163.08 11.59 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.728 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.17 -108.82 2.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.705 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.03 68.81 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.847 HD21 ' HA2' ' A' ' 18' ' ' GLY . 1.2 tp -93.7 127.71 39.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.48 -171.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.438 HD13 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -96.75 116.77 29.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.119 175.333 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.7 m -100.36 156.29 17.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.061 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.98 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 29.9 t -60.53 178.07 0.24 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.784 0.802 . . . . 0.0 111.983 178.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.443 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 3.1 t70 -110.01 -4.48 15.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.417 173.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -130.81 -52.53 1.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.09 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -87.07 163.72 39.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -89.18 9.33 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.29 1.994 . . . . 0.0 112.581 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.69 151.08 39.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.722 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -136.56 150.68 48.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.617 177.41 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 97.4 m-85 -142.4 -175.89 4.63 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.755 -174.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.809 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 18.5 m80 -77.38 -134.87 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 166.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.469 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 5.8 pt -122.59 8.94 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.796 167.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -154.61 16.61 0.45 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -172.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.809 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.5 m -67.27 -48.65 67.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.353 0.597 . . . . 0.0 110.843 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.542 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -65.16 167.88 7.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.889 -176.09 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -53.51 64.96 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.437 178.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 3.1 Cg_exo -78.33 65.79 8.46 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.277 1.984 . . . . 0.0 110.971 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.92 147.03 52.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.783 -174.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mp -92.55 146.13 23.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.605 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -107.35 -1.63 21.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.675 0.75 . . . . 0.0 109.189 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.68 151.17 48.46 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.647 175.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 21.8 t -81.96 116.25 62.24 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.335 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 43' ' ' VAL . 8.0 Cg_exo -76.06 107.73 2.53 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.925 2.417 . . . . 0.0 112.194 -175.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.02 138.96 31.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.586 177.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.62 -133.72 11.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.074 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.32 160.1 21.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.562 0.22 . . . . 0.0 110.693 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -162.42 161.06 27.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.968 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.98 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 10.6 pt20 -164.58 151.87 11.53 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.125 178.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.76 171.0 1.17 Allowed Pre-proline 0 CA--C 1.535 0.403 0 CA-C-O 121.2 0.524 . . . . 0.0 112.197 -176.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -92.57 6.39 3.2 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.719 2.28 . . . . 0.0 110.4 172.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.428 ' H ' ' HB2' ' A' ' 50' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.619 -173.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.5 mtt . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.54 2.72 55.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.692 0.758 . . . . 0.0 109.364 175.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.866 ' HA ' ' HA3' ' A' ' 18' ' ' GLY . 14.3 p90 -125.93 170.92 11.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.746 -1.116 . . . . 0.0 108.867 174.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.633 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 2.3 m -72.49 126.69 30.47 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.171 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -15.08 62.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.33 173.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.513 HG22 ' HE1' ' A' ' 31' ' ' TYR . 63.0 t -102.73 -69.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.603 -177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.747 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -79.62 -11.78 59.86 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -173.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 3.6 mmtt 75.48 -4.71 2.32 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.361 0.665 . . . . 0.0 112.094 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.747 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 2.0 m-20 -91.7 136.03 33.44 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.866 ' HA3' ' HA ' ' A' ' 11' ' ' PHE . . . -154.89 -145.2 4.11 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.91 -112.89 3.59 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.573 -177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -105.49 80.9 1.62 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 HD12 ' HA2' ' A' ' 18' ' ' GLY . 2.6 pt? -134.98 -175.91 4.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.07 -173.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 146.39 51.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 0.8 OUTLIER -155.47 148.61 24.67 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.271 -0.268 . . . . 0.0 110.703 -176.123 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -60.63 134.59 57.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.806 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.54 -30.31 16.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.262 0.553 . . . . 0.0 110.489 -176.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -107.18 9.29 30.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.729 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.16 144.21 25.21 Favored Pre-proline 0 N--CA 1.446 -0.669 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.971 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -87.2 72.98 3.02 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.22 1.947 . . . . 0.0 113.747 -171.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.612 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 75.3 m -152.87 172.95 15.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.082 177.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 15.9 m -134.26 145.26 48.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.308 175.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.633 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 28.6 m-85 -145.81 169.81 17.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 112.209 -175.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.893 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 54.9 m80 -116.64 175.68 5.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 168.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 pt -80.93 62.66 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.321 0.581 . . . . 0.0 110.469 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.65 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.47 -175.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.893 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -79.47 41.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.446 -171.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.38 161.1 40.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 172.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.538 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -61.26 -58.31 19.73 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.532 -175.15 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 1.7 Cg_endo -81.2 58.15 6.82 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.351 2.034 . . . . 0.0 111.349 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 140.04 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.302 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.13 166.97 10.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.098 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -99.28 -24.83 14.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.249 0.547 . . . . 0.0 109.722 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.92 135.07 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.488 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.2 t -75.67 125.05 88.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.011 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 43' ' ' VAL . 7.1 Cg_exo -74.96 173.68 14.09 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.063 2.509 . . . . 0.0 112.318 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -80.68 -177.63 6.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.94 -40.37 97.15 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.916 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.88 84.77 2.82 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -130.42 143.72 50.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.943 -173.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -120.18 124.63 46.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.485 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 4.5 p -65.25 166.74 12.2 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.441 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.53 ' HB3' ' HG2' ' A' ' 38' ' ' PRO . 9.9 Cg_endo -51.39 -51.17 11.76 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.116 1.877 . . . . 0.0 110.0 172.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HA ' ' HD2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.298 169.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.888 ' HE2' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.713 0.292 . . . . 0.0 111.665 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.98 -33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.543 -179.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.564 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 4.5 p90 -120.79 162.69 19.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -174.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.714 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 13.3 m -62.74 145.35 55.01 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.207 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.888 ' HG3' ' HE2' ' A' ' 9' ' ' MET . 1.7 mtp180 -70.13 -23.3 62.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.683 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.453 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 1.3 t -112.37 -65.05 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.24 0.543 . . . . 0.0 110.85 -178.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.72 6.0 9.93 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.564 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 11.3 mmtt 41.66 31.51 0.2 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 168.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.584 ' CG ' ' HG ' ' A' ' 12' ' ' CYS . 5.8 p-10 -98.42 153.28 18.69 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 122.336 -0.227 . . . . 0.0 110.495 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.36 -173.69 13.23 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.839 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.33 -110.25 3.82 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.156 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -81.48 68.6 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.132 0.491 . . . . 0.0 110.747 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.27 164.42 26.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.162 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.03 146.09 28.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.995 0.426 . . . . 0.0 111.657 -173.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.38 150.09 42.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.53 175.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.703 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 13.3 t -58.98 161.9 4.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.456 0.646 . . . . 0.0 111.372 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.39 -35.93 58.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.308 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -102.13 -39.26 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.57 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.799 ' HB3' HH12 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -108.58 164.39 14.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.548 -174.483 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -89.74 4.17 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.414 2.076 . . . . 0.0 112.841 -176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.57 121.29 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.436 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.53 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.7 OUTLIER -111.3 136.72 50.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.198 -175.061 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.714 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 78.3 m-85 -143.97 -175.91 4.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.216 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.795 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 31.2 m80 -79.41 -114.15 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 168.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pt -133.8 9.73 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.816 170.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -155.77 18.9 0.39 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.795 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -87.16 -0.03 56.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.118 0.485 . . . . 0.0 110.925 -176.065 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.579 HD11 ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -117.45 -175.86 2.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.421 -176.83 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.918 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 1.8 mtm180 -58.05 -61.98 6.38 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.344 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.918 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 2.2 Cg_endo -79.96 95.47 1.02 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.221 1.947 . . . . 0.0 111.585 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.78 143.7 30.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.35 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -100.27 165.5 11.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.391 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -90.25 -40.81 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.229 0.538 . . . . 0.0 109.788 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -130.7 173.26 11.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.042 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.78 125.22 84.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -54.19 142.38 67.37 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.994 2.462 . . . . 0.0 112.871 -175.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.72 -38.35 6.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.079 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.77 -97.17 1.1 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.385 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -116.05 166.86 11.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.097 0.475 . . . . 0.0 111.293 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.499 ' HZ2' HD21 ' A' ' 36' ' ' LEU . 65.3 t90 -159.25 137.16 10.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.789 176.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -137.74 143.19 41.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 -179.402 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.703 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 1.3 p -71.91 167.42 31.49 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.293 178.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -87.43 5.6 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.398 2.065 . . . . 0.0 112.357 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.799 HH12 ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.467 -175.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.461 ' HB2' ' HE1' ' A' ' 9' ' ' MET . 1.6 mtm . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -77.07 5.11 8.72 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.03 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.552 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 3.0 p90 -137.2 162.02 34.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.072 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.709 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 7.6 m -64.5 131.33 46.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.537 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -60.09 -29.57 68.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.682 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.07 -66.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.503 0.668 . . . . 0.0 111.152 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.24 4.68 12.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -177.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER 50.0 16.88 0.26 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 166.333 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.554 ' CG ' ' HG ' ' A' ' 12' ' ' CYS . 6.8 p-10 -83.16 155.31 23.84 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 122.119 -0.363 . . . . 0.0 110.252 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.84 -165.0 10.69 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.288 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.33 -112.35 4.2 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.748 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -97.31 104.63 16.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mp -122.16 174.09 7.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.145 0.498 . . . . 0.0 111.47 -177.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 32' ' ' HIS . 14.6 tp -102.09 104.41 15.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.708 171.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 163.68 12.29 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.181 -171.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.837 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 33.7 t -69.01 -176.67 0.9 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.28 0.562 . . . . 0.0 110.559 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 12.9 t70 -108.91 -41.01 4.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.228 176.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -92.18 -26.71 18.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.406 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -119.71 155.82 54.36 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.503 -179.351 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 3.9 Cg_exo -86.61 26.08 0.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.97 2.447 . . . . 0.0 112.52 -175.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.47 129.86 34.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 7.1 m -118.77 140.07 50.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 111.441 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.709 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 97.5 m-85 -141.64 -174.48 4.07 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.129 -177.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.751 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 39.1 m80 -82.24 -122.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 168.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.0 pt -134.09 14.14 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.07 169.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -153.99 14.77 0.47 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -172.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.751 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.2 m -78.82 -25.58 44.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.161 0.505 . . . . 0.0 110.493 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -95.51 178.93 5.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.615 -178.285 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.744 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 15.3 ttt180 -63.53 -54.39 43.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.388 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 3.2 Cg_exo -75.45 69.87 5.76 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.292 1.995 . . . . 0.0 111.553 177.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.96 144.56 54.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.652 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.24 164.77 12.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.368 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -93.5 -22.22 18.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.002 0.43 . . . . 0.0 110.236 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.8 172.74 12.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.913 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.41 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 10.3 t -77.78 119.49 77.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.195 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 43' ' ' VAL . 13.3 Cg_endo -57.06 147.08 77.34 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.926 2.417 . . . . 0.0 112.095 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -83.45 82.28 8.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.198 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.55 -63.17 3.06 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.248 -0.501 . . . . 0.0 113.306 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -66.16 110.25 2.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.935 0.398 . . . . 0.0 111.286 -177.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -174.73 146.59 0.97 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.007 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.513 ' HG2' ' SG ' ' A' ' 24' ' ' CYS . 5.2 mt-30 -141.42 147.37 37.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.949 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.837 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 1.8 p -67.65 156.31 89.23 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.988 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.494 ' HG3' ' HB3' ' A' ' 36' ' ' LEU . 98.6 Cg_endo -81.18 23.19 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.509 2.139 . . . . 0.0 113.126 -176.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 52' ' ' ARG . 5.6 mtm180 . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 120.835 0.35 . . . . 0.0 111.832 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.73 -21.74 25.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.506 ' HA ' HD21 ' A' ' 21' ' ' LEU . 5.3 p90 -116.57 -172.56 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.743 172.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -91.09 157.79 17.03 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.017 -177.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.498 ' O ' ' HE3' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -70.36 -54.44 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.205 -175.55 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.581 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 18.1 t -77.76 -69.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.637 0.256 . . . . 0.0 111.573 -174.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.526 ' C ' ' HG ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -94.7 69.23 3.42 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.238 176.768 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 13' ' ' ARG . 1.5 mptt -37.38 75.72 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.35 1.86 . . . . 0.0 113.464 -174.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 t0 -155.43 177.2 11.63 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.192 -175.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.1 148.19 11.91 Favored Glycine 0 N--CA 1.448 -0.545 0 O-C-N 123.672 0.608 . . . . 0.0 112.688 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.76 -57.01 1.56 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 175.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.54 115.66 24.46 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 171.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.506 HD21 ' HA ' ' A' ' 11' ' ' PHE . 1.7 mm? -103.29 -177.05 3.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.504 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -112.96 139.82 48.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 177.819 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 29' ' ' SER . 62.6 m -110.9 150.52 29.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.54 -169.53 1.05 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.542 0.687 . . . . 0.0 111.786 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -94.59 -8.62 37.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.665 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 p -118.22 -49.33 2.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.989 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.469 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -109.74 161.18 25.18 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.714 -172.393 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -86.05 24.01 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.059 2.506 . . . . 0.0 112.055 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.521 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -75.02 152.72 38.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.361 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.572 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 46.6 m -128.2 137.08 51.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.974 0.416 . . . . 0.0 110.448 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -132.48 169.79 16.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.727 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.771 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 30.4 m80 -86.4 -132.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 169.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.0 pt -127.73 7.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.759 0.314 . . . . 0.0 110.517 171.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -143.43 8.84 1.59 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.5 m -71.47 -33.56 69.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.39 0.614 . . . . 0.0 110.124 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' H ' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -86.22 169.36 13.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.288 178.215 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -51.2 41.43 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.551 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.23 72.22 5.47 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.27 1.98 . . . . 0.0 111.517 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.34 134.96 57.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.54 154.53 18.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.307 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -81.8 -38.72 25.12 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.98 158.86 28.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.74 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.559 HG13 ' HD2' ' A' ' 44' ' ' PRO . 17.4 t -63.22 127.16 90.63 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.398 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.559 ' HD2' HG13 ' A' ' 43' ' ' VAL . 51.5 Cg_endo -78.02 63.29 8.16 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.69 2.26 . . . . 0.0 111.623 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -77.32 113.31 14.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.713 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 124.38 -117.54 3.11 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.927 -0.578 . . . . 0.0 112.039 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.76 123.06 27.9 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 122.287 0.235 . . . . 0.0 110.472 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -171.49 131.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.558 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.78 148.02 43.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 133.5 84.96 Favored Pre-proline 0 C--N 1.319 -0.727 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -170.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -86.67 12.18 3.07 Favored 'Trans proline' 0 N--CA 1.446 -1.322 0 C-N-CA 122.963 2.442 . . . . 0.0 110.297 167.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.858 -175.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.791 0.329 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.48 40.93 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.266 0.555 . . . . 0.0 110.536 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.646 ' HA ' HD23 ' A' ' 21' ' ' LEU . 37.2 p90 -166.04 167.54 16.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.853 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.552 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 62.3 m -62.69 138.55 58.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.061 0.458 . . . . 0.0 111.691 -176.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -68.3 -31.7 71.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.067 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 t -99.37 -67.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.317 0.58 . . . . 0.0 110.875 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.97 7.68 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 4.1 mttm 38.13 36.12 0.1 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 168.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.552 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.3 p-10 -113.46 173.16 6.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.642 0.258 . . . . 0.0 111.646 -173.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.868 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -135.26 -161.31 9.31 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.638 177.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.41 -105.59 3.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.849 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.82 70.93 5.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.868 HD21 ' HA2' ' A' ' 18' ' ' GLY . 1.8 tp -109.95 142.58 41.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.151 -172.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.5 136.25 52.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.987 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.18 141.21 52.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.943 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.822 ' HB3' ' HA ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -68.42 168.74 12.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.507 0.67 . . . . 0.0 111.718 -177.355 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -90.55 -10.5 43.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.684 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.23 -36.96 6.4 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.925 -169.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.57 157.21 74.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.052 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.13 59.85 5.45 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.608 2.205 . . . . 0.0 112.913 -174.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -119.56 167.1 12.32 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.497 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 16.4 m -146.83 150.47 35.35 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -176.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.869 ' HD1' ' HB2' ' A' ' 35' ' ' CYS . 93.5 m-85 -146.41 -178.29 6.08 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.872 -178.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.801 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 22.8 m80 -79.07 -116.77 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 166.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.693 HG21 ' HD2' ' A' ' 44' ' ' PRO . 16.1 pt -137.06 15.5 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.968 169.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.621 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 37.2 p-80 -161.59 24.03 0.12 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -173.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.869 ' HB2' ' HD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -89.78 -19.96 24.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.702 0.763 . . . . 0.0 109.943 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD22 ' HZ2' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -98.05 -142.27 0.3 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.619 -175.546 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.578 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -59.26 176.12 0.31 Allowed Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 123.316 0.646 . . . . 0.0 110.634 176.702 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' HB3' ' A' ' 37' ' ' ARG . 61.9 Cg_exo -19.86 108.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.535 1 C-N-CA 125.318 4.012 . . . . 0.0 114.739 -179.095 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' ' 34' ' ' HIS . . . -45.79 138.79 4.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.409 -1.269 . . . . 0.0 112.947 -173.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.45 130.22 34.96 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.62 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.33 -19.87 52.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.966 0.412 . . . . 0.0 110.632 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -127.74 151.92 48.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.231 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.04 120.83 70.26 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.693 ' HD2' HG21 ' A' ' 33' ' ' ILE . 9.4 Cg_endo -60.3 131.35 38.17 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.495 2.13 . . . . 0.0 112.332 -175.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -125.11 132.3 53.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.147 -178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.38 -153.91 16.91 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.745 -176.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.81 90.39 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.988 0.423 . . . . 0.0 110.712 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 79.5 t90 -97.93 148.82 23.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.521 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.822 ' HA ' ' HB3' ' A' ' 24' ' ' CYS . 21.3 mt-30 -137.97 137.5 38.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.545 0.212 . . . . 0.0 110.537 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -81.76 167.4 31.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.37 178.708 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -80.86 14.19 2.13 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.463 2.109 . . . . 0.0 112.525 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.523 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 4.1 mmt180 . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.951 -0.459 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.74 -74.3 0.02 OUTLIER 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.859 2.372 . . . . 0.0 112.641 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.17 73.3 10.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.037 0.446 . . . . 0.0 110.357 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.81 -136.38 24.27 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.394 -175.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.55 -7.49 31.18 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 176.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.3 t70 70.75 -58.38 0.56 Allowed 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.892 0.745 . . . . 0.0 110.675 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.5 ' CE1' ' HB3' ' A' ' 53' ' ' CYS . 1.2 t60 -81.69 64.53 6.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.418 0.628 . . . . 0.0 110.746 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -173.6 104.55 0.12 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.96 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.453 ' SD ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -157.35 137.65 12.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.195 0.521 . . . . 0.0 111.008 -176.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -90.46 27.6 1.67 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.065 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -150.15 174.32 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.285 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.782 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 1.7 m -69.68 131.09 44.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.053 -176.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HG2' ' SD ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -56.34 -42.19 77.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.224 178.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.34 -55.49 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.581 0.705 . . . . 0.0 111.747 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 24.1 3.74 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.565 -1.198 . . . . 0.0 114.232 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm 30.89 65.4 0.16 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.023 -0.989 . . . . 0.0 113.018 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.646 ' HB3' HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -77.69 -170.03 1.7 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.113 -177.1 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.89 -35.86 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.228 -0.987 . . . . 0.0 113.282 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.69 -97.37 1.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.906 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.34 126.37 29.56 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.646 HD23 ' HB3' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -141.39 140.77 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.063 0.459 . . . . 0.0 111.603 -176.082 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.1 tp -118.49 115.87 25.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -113.24 163.74 14.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.468 -172.058 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -175.78 2.31 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.09 0.471 . . . . 0.0 111.161 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -114.57 19.93 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.483 0.659 . . . . 0.0 109.484 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -131.92 -55.38 0.99 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.054 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 162.72 19.6 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.793 -176.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -92.08 57.47 0.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 122.775 2.317 . . . . 0.0 112.964 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -124.29 149.09 46.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.187 176.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.642 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.8 m -124.93 144.36 50.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.848 -177.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.782 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 95.0 m-85 -137.72 -177.16 4.68 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.983 0.42 . . . . 0.0 111.174 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.687 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 43.8 m80 -83.55 -122.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 169.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.3 pt -132.22 8.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.518 168.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -153.33 22.89 0.55 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -75.92 -20.68 57.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.519 0.676 . . . . 0.0 111.056 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.647 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -100.29 172.48 7.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.183 -178.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.803 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -61.56 -51.25 78.25 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.428 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.647 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 7.3 Cg_exo -71.93 68.78 3.09 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.208 1.939 . . . . 0.0 110.819 175.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.6 148.89 30.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.986 -171.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mp -117.44 151.24 37.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.54 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -107.42 -7.53 16.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.686 0.755 . . . . 0.0 109.051 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -105.52 151.35 24.4 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.712 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.89 117.52 68.87 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -70.56 98.17 0.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.632 2.221 . . . . 0.0 111.385 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -19.2 60.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.539 -174.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.94 -95.88 1.97 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.619 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -112.36 165.32 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.84 0.352 . . . . 0.0 110.803 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.46 ' HH2' ' CD2' ' A' ' 31' ' ' TYR . 90.1 t90 -170.88 138.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.658 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.69 162.9 33.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.342 0.591 . . . . 0.0 111.366 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.592 ' HB2' ' H ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -70.94 163.79 62.03 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.161 -178.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.417 ' HG3' ' HB3' ' A' ' 36' ' ' LEU . 51.7 Cg_endo -67.02 -46.4 3.19 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 121.815 1.676 . . . . 0.0 110.104 171.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.677 ' HB3' HG23 ' A' ' 54' ' ' THR . 0.0 OUTLIER -167.16 19.64 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.456 173.003 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.592 ' H ' ' HB2' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 49.29 39.33 15.69 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.57 -174.411 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.677 HG23 ' HB3' ' A' ' 52' ' ' ARG . 10.0 t -163.11 -160.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.509 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 117.91 19.62 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 120.601 0.239 . . . . 0.0 110.498 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.803 ' HB2' ' HB2' ' A' ' 37' ' ' ARG . 74.3 Cg_endo -80.7 47.99 2.74 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.568 2.179 . . . . 0.0 113.375 -173.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.85 -19.55 19.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.016 0.436 . . . . 0.0 110.313 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.43 172.49 9.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.448 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -84.98 112.74 20.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.368 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.23 -32.98 11.1 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.618 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.604 -0.712 . . . . 0.0 110.353 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 112.186 -0.366 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.69 -61.53 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.847 2.365 . . . . 0.0 112.175 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.1 mt -124.27 155.43 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.898 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.81 -1.52 41.75 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.901 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -17.09 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 109.7 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -114.26 59.11 0.68 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.333 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.611 ' HE2' ' HB3' ' A' ' 27' ' ' CYS . 7.4 t60 -95.42 -45.67 7.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.145 -176.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.448 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . 17.8 p-80 -80.39 136.65 36.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.513 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.508 ' HG3' ' O ' ' A' ' 11' ' ' PHE . 12.3 ptp -166.86 141.0 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -178.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -79.3 -18.63 52.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.145 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.508 ' O ' ' HG3' ' A' ' 9' ' ' MET . 35.2 p90 -93.97 -179.44 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.499 174.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.748 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -93.04 150.94 20.18 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.273 -175.36 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.726 HH11 ' HB3' ' A' ' 53' ' ' CYS . 12.3 mtp180 -70.8 -42.12 70.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.094 -173.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 3.3 t -83.67 -80.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.169 -176.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -84.01 71.86 10.5 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 119.299 -0.382 . . . . 0.0 110.362 173.505 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.603 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -47.4 69.48 0.0 OUTLIER 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.868 1.667 . . . . 0.0 113.101 -172.147 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.8 t0 -127.53 173.3 9.97 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.547 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' HA2' HD13 ' A' ' 21' ' ' LEU . . . -100.51 -129.92 6.83 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 177.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.72 -143.8 25.93 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.705 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.29 109.34 15.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.805 0.336 . . . . 0.0 110.286 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.437 HD13 ' HA2' ' A' ' 18' ' ' GLY . 1.8 mt -123.11 143.63 49.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.399 -176.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.99 154.97 31.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.055 174.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 152.88 40.37 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 121.357 -0.137 . . . . 0.0 110.832 -176.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -170.76 1.31 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.575 0.702 . . . . 0.0 111.871 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -90.16 -29.01 18.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.179 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.418 ' HB ' ' HA3' ' A' ' 60' ' ' GLY . 7.8 p -101.06 -58.7 1.83 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.988 -172.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.611 ' HB3' ' HE2' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -91.35 156.61 43.4 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.125 -171.54 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.448 ' HG2' ' HB3' ' A' ' 8' ' ' HIS . 4.9 Cg_endo -88.81 31.55 0.4 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.483 2.789 . . . . 0.0 111.99 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.02 149.11 21.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.21 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.748 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.5 m -115.29 147.17 40.75 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.883 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.445 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 68.1 m-85 -135.7 165.0 26.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.781 -175.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.702 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 61.7 m80 -94.87 -163.58 1.07 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 167.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.685 ' HB ' ' HB2' ' A' ' 40' ' ' LEU . 4.9 pt -108.04 20.97 4.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 119.984 -0.687 . . . . 0.0 111.09 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -145.38 12.84 1.37 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -79.36 -24.37 42.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.955 0.407 . . . . 0.0 111.114 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD11 ' HZ2' ' A' ' 48' ' ' TRP . 0.0 OUTLIER -95.59 -179.04 4.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.396 -177.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.629 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 9.3 mmp_? -67.22 -55.56 15.29 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.157 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.629 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 4.1 Cg_exo -76.46 102.1 1.57 Allowed 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.293 1.995 . . . . 0.0 111.291 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.22 130.01 40.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.751 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.685 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 1.3 mp -93.52 139.07 31.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.974 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -100.66 -2.17 33.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.197 0.522 . . . . 0.0 109.994 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.3 136.52 21.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.641 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.73 120.43 75.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.21 0.528 . . . . 0.0 111.393 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.611 ' HG3' HD23 ' A' ' 40' ' ' LEU . 97.3 Cg_endo -84.48 87.71 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.054 2.503 . . . . 0.0 112.604 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -99.06 97.4 8.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.993 0.425 . . . . 0.0 110.475 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 163.25 -104.41 0.23 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.997 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.3 89.15 3.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.055 0.455 . . . . 0.0 110.184 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.555 ' HZ2' HD11 ' A' ' 36' ' ' LEU . 91.2 t90 -143.32 137.16 28.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.153 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.68 162.9 26.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.343 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.59 160.37 39.09 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.805 -168.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -102.8 17.65 0.23 Allowed 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 123.746 2.964 . . . . 0.0 110.91 172.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -138.21 -69.86 0.44 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.232 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.726 ' HB3' HH11 ' A' ' 13' ' ' ARG . 0.1 OUTLIER -71.03 -16.65 62.62 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.776 -172.219 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 101.51 7.69 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.962 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.27 153.1 65.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.005 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.64 -20.96 30.02 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.355 2.037 . . . . 0.0 112.163 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.64 -3.19 57.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.526 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tp -154.14 100.61 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.261 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.53 166.97 11.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.939 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.418 ' HA3' ' HB ' ' A' ' 26' ' ' THR . . . -94.0 -32.69 7.36 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HD2' ' HA ' ' A' ' 61' ' ' LYS . 2.4 tptp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.98 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.484 1.845 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.416 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 3.6 Cg_exo -74.44 67.07 5.46 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.334 2.689 . . . . 0.0 112.083 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt -145.61 40.32 1.19 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.548 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.56 -142.42 21.03 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.65 -176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.62 88.28 2.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.884 0.373 . . . . 0.0 110.302 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -114.02 165.19 12.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.802 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -100.45 -79.88 0.49 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.033 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.533 ' HA ' ' O ' ' A' ' 28' ' ' PRO . 8.5 p-80 -90.13 -176.97 5.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.278 176.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.62 153.48 21.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -83.31 4.1 28.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.575 176.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.526 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 22.9 p90 -148.26 170.92 16.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.482 -177.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -87.07 122.89 31.52 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.217 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' HD2' ' HE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -61.58 -10.43 8.14 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -173.009 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.52 -69.03 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.594 0.235 . . . . 0.0 111.246 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.588 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 13.7 p -89.7 -2.26 58.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.626 0.25 . . . . 0.0 111.404 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 67.05 11.36 8.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.24 0.616 . . . . 0.0 111.642 179.738 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.588 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -98.74 149.89 22.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.852 179.256 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' A' ' 11' ' ' PHE . . . -97.18 -159.02 31.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.84 176.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.15 -129.16 8.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.066 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.52 94.89 9.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.228 0.537 . . . . 0.0 110.052 177.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 HD21 ' HA2' ' A' ' 18' ' ' GLY . 5.2 mt -105.5 148.57 27.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.115 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.803 HD22 HG21 ' A' ' 33' ' ' ILE . 1.5 mm? -99.95 126.71 46.14 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.179 174.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.3 m -89.28 137.86 31.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.749 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 45.6 m -53.34 162.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.921 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -88.34 -4.71 58.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.81 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.485 HG22 ' H ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -155.32 -51.78 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.444 -178.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -75.32 168.98 22.73 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -176.147 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.533 ' O ' ' HA ' ' A' ' 8' ' ' HIS . 68.8 Cg_endo -98.3 45.75 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.779 2.319 . . . . 0.0 112.767 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.85 158.92 22.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.54 -177.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.54 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -128.11 129.49 46.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.798 176.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' HE1' ' HD2' ' A' ' 13' ' ' ARG . 63.9 m-85 -125.71 164.87 19.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.213 -175.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 35' ' ' CYS . 7.8 m80 -99.33 152.07 20.35 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 168.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.803 HG21 HD22 ' A' ' 22' ' ' LEU . 1.3 pt -58.44 -38.79 72.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 123.085 0.241 . . . . 0.0 111.609 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.515 ' HA ' ' HB1' ' A' ' 39' ' ' ALA . 4.4 p80 -103.16 15.12 30.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 34.0 m -103.75 2.79 33.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.145 0.497 . . . . 0.0 110.811 177.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD12 ' HZ2' ' A' ' 48' ' ' TRP . 1.9 mt -96.15 167.04 11.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.53 172.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.628 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 2.2 mtm180 -61.73 -54.14 54.24 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.742 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.628 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 1.8 Cg_endo -79.64 63.8 8.78 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.667 2.245 . . . . 0.0 110.506 172.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.515 ' HB1' ' HA ' ' A' ' 34' ' ' HIS . . . -53.69 135.85 40.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.254 -173.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.1 151.85 28.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.657 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -109.99 -1.29 17.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.086 0.47 . . . . 0.0 110.098 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -127.94 143.76 51.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.138 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -80.1 137.06 53.29 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.403 179.696 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 43' ' ' VAL . 37.8 Cg_exo -65.01 157.77 55.34 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.832 2.355 . . . . 0.0 111.891 -177.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.63 -43.4 55.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.01 -49.31 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.389 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.04 80.42 3.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.872 0.368 . . . . 0.0 111.311 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.537 ' HZ2' HD12 ' A' ' 36' ' ' LEU . 29.8 t90 -111.46 146.27 37.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -134.42 134.15 41.3 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.564 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.72 117.59 63.6 Favored Pre-proline 0 N--CA 1.445 -0.699 0 CA-C-O 121.092 0.472 . . . . 0.0 112.122 -172.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.09 38.98 0.78 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.76 2.307 . . . . 0.0 111.399 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.17 -70.33 0.49 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.713 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -36.91 72.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.35 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 p -108.78 175.95 5.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.714 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -80.41 119.33 76.06 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.653 0.263 . . . . 0.0 110.991 -178.547 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 55' ' ' CYS . 4.6 Cg_exo -74.19 69.88 4.76 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.236 2.624 . . . . 0.0 111.962 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.22 11.74 34.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.05 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 58' ' ' LEU . 7.1 tp -156.54 -176.96 6.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.031 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HD2' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER 71.67 -71.28 0.14 Allowed 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.92 0.763 . . . . 0.0 111.644 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.91 87.34 0.14 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.603 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tptp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.512 -0.756 . . . . 0.0 109.948 177.586 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.31 -25.67 42.26 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.494 2.13 . . . . 0.0 112.166 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.91 140.32 38.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.98 174.59 21.81 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.13 57.79 2.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.47 0.652 . . . . 0.0 110.633 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -88.44 66.39 8.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.164 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -114.64 -53.86 2.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -100.73 122.92 44.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.2 128.28 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.301 175.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -87.07 41.96 1.0 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.281 0.562 . . . . 0.0 110.163 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 55.4 p90 -168.4 164.45 12.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.355 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.645 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -78.64 122.56 26.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.474 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -70.77 17.0 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.454 ' H ' ' C ' ' A' ' 12' ' ' CYS . 10.2 t -103.19 -69.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.873 0.368 . . . . 0.0 110.496 175.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.708 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 10.4 p -89.49 -7.1 55.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.603 -176.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 74.13 2.08 4.06 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.433 0.693 . . . . 0.0 112.298 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.72 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -84.05 145.3 28.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.129 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 11' ' ' PHE . . . -143.36 53.28 0.61 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.162 -1.018 . . . . 0.0 113.583 -176.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.41 -67.59 1.63 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.738 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -117.98 104.07 10.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -98.66 118.05 34.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.516 -174.459 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 139.14 30.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.479 -0.782 . . . . 0.0 108.931 172.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.64 158.79 39.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.512 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.477 ' HB2' ' H ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -81.25 -155.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.527 0.68 . . . . 0.0 111.76 -176.677 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.477 ' H ' ' HB2' ' A' ' 24' ' ' CYS . 12.3 t70 -100.35 -37.84 8.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.708 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.73 -20.48 18.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.798 -168.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.588 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -134.48 160.36 68.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.176 178.029 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.87 33.96 0.44 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.855 2.37 . . . . 0.0 111.434 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.533 ' OG ' ' HB2' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -68.76 100.24 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.224 -176.189 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.645 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -79.4 115.19 18.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.317 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.609 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 24.4 m-85 -132.62 171.09 14.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.587 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.72 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 9.8 m170 -107.66 153.76 22.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 171.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 pt -67.17 -21.63 28.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -113.61 4.12 15.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 89.0 m -100.96 8.4 43.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.993 0.425 . . . . 0.0 111.833 -177.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD11 ' CZ2' ' A' ' 48' ' ' TRP . 0.3 OUTLIER -109.02 166.45 10.83 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.441 175.181 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.612 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -69.36 -54.72 10.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.208 174.546 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.612 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 2.5 Cg_endo -77.47 61.64 7.46 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.41 2.073 . . . . 0.0 110.515 172.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.45 152.69 44.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.72 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.561 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.6 mp -111.17 147.18 35.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.626 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -93.86 -0.39 55.77 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.869 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.85 167.53 21.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 15.0 p -90.18 119.57 69.24 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.351 0.596 . . . . 0.0 110.859 -178.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.561 ' HG3' HD22 ' A' ' 40' ' ' LEU . 5.5 Cg_exo -77.73 108.85 2.63 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.966 2.444 . . . . 0.0 111.52 -177.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -105.78 9.02 33.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.056 0.455 . . . . 0.0 110.169 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.95 -91.06 2.1 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.171 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -123.86 142.66 50.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.598 0.237 . . . . 0.0 110.588 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.51 ' CZ2' HD11 ' A' ' 36' ' ' LEU . 28.2 t90 -156.53 155.67 32.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.697 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.547 ' HG3' ' SG ' ' A' ' 53' ' ' CYS . 4.3 tp60 -136.41 124.03 22.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.842 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.2 p -80.93 162.93 58.06 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.99 3.48 4.47 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.79 2.327 . . . . 0.0 111.899 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.704 ' HB3' HH11 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -117.05 1.12 12.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.657 -178.73 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.588 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 4.5 m -60.35 -38.11 82.78 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.247 0.546 . . . . 0.0 110.559 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.75 14.31 25.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.453 -176.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.547 ' SG ' ' HA ' ' A' ' 52' ' ' ARG . 10.0 m -108.01 99.59 31.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.164 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.444 ' HB2' ' H ' ' A' ' 57' ' ' ALA . 95.5 Cg_endo -84.98 -139.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.902 2.401 . . . . 0.0 112.11 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' H ' ' HB2' ' A' ' 56' ' ' PRO . . . 61.17 36.22 18.17 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.17 0.509 . . . . 0.0 110.711 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.1 mt -87.1 -14.77 40.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.571 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.16 51.04 13.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.406 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.02 62.53 3.64 Favored Glycine 0 C--N 1.331 0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.949 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.548 -0.739 . . . . 0.0 109.994 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -77.55 91.3 1.19 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.01 147.48 25.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.861 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.43 -17.2 79.51 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.653 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.3 119.84 10.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.496 -0.352 . . . . 0.0 110.147 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -73.34 127.04 31.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.822 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -102.59 103.77 14.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.923 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -80.79 125.3 29.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.059 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.8 tpt -156.64 146.33 20.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.79 83.12 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.534 ' HA ' HD23 ' A' ' 21' ' ' LEU . 1.5 p90 -174.98 164.03 3.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.755 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 6.7 m -66.02 114.88 5.52 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.53 ' HD2' ' OH ' ' A' ' 31' ' ' TYR . 36.0 mtt180 -60.5 -24.94 65.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.622 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.68 -66.6 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 111.22 -178.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.55 8.14 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HG2' ' HE2' ' A' ' 11' ' ' PHE . 14.4 mttm 39.7 43.98 1.21 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 169.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.755 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.2 p-10 -117.32 167.12 11.52 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.678 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -142.46 -165.58 10.62 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.755 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.01 -112.93 4.47 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.999 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.76 63.38 5.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.595 0.712 . . . . 0.0 109.771 176.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.739 ' HG ' ' HB2' ' A' ' 30' ' ' SER . 0.8 OUTLIER -85.92 132.25 34.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.965 -175.468 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tp -85.46 109.3 18.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 161.0 18.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.098 -171.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 9.1 t -70.18 -160.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.106 174.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.553 ' HB3' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -130.89 -31.67 1.71 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.183 175.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.63 -15.91 18.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.317 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 6.0 p -138.24 164.81 37.8 Favored Pre-proline 0 N--CA 1.453 -0.299 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 27' ' ' CYS . 95.3 Cg_endo -83.75 1.47 8.86 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.508 2.138 . . . . 0.0 113.121 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -66.94 135.77 54.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.906 0.384 . . . . 0.0 110.301 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.739 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -132.29 162.31 31.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.925 -178.088 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.674 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 79.7 m-85 -143.89 -174.41 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.102 0.477 . . . . 0.0 112.009 -171.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.761 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 47.6 m80 -79.81 -135.86 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 166.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.433 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 47.5 pt -129.28 16.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 121.889 -0.507 . . . . 0.0 109.938 167.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.652 ' HD2' ' HB2' ' A' ' 39' ' ' ALA . 8.6 t-160 -148.93 12.75 0.87 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.157 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.3 m -72.78 -43.35 62.9 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.934 -0.478 . . . . 0.0 111.62 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.23 179.9 6.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.553 -173.221 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -54.78 32.15 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.936 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.462 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 11.4 Cg_exo -69.83 94.62 0.54 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.143 1.895 . . . . 0.0 111.171 175.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.652 ' HB2' ' HD2' ' A' ' 34' ' ' HIS . . . -73.5 132.27 42.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.571 -174.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.581 ' HG ' ' HG3' ' A' ' 44' ' ' PRO . 1.5 mm? -92.56 96.63 10.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.167 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -73.7 -14.68 61.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.991 0.424 . . . . 0.0 110.629 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.85 160.5 39.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.088 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.415 ' H ' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -66.64 116.94 39.66 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.883 0.373 . . . . 0.0 110.619 -179.435 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.581 ' HG3' ' HG ' ' A' ' 40' ' ' LEU . 72.2 Cg_endo -80.93 77.86 3.88 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.854 2.369 . . . . 0.0 112.622 -176.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.83 133.12 47.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.242 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.19 -131.4 7.2 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.882 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.58 105.42 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.73 0.3 . . . . 0.0 110.378 177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -112.19 141.88 45.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.907 0.385 . . . . 0.0 110.132 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.752 ' HB2' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -130.68 141.01 50.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.043 179.673 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.617 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 11.9 p -66.4 167.25 13.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.617 ' HD2' ' HB2' ' A' ' 50' ' ' CYS . 39.9 Cg_endo -67.5 -3.88 10.94 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.824 2.35 . . . . 0.0 113.149 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -93.06 -51.31 5.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 177.33 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 33.9 m -76.91 -67.56 0.69 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.178 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.752 ' HA ' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER 43.28 -108.42 0.12 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.532 178.347 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.441 ' H ' ' HB ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -117.66 106.07 46.82 Favored Pre-proline 0 N--CA 1.45 -0.457 0 CA-C-O 120.773 0.32 . . . . 0.0 110.419 -178.568 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -75.24 72.08 4.92 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.958 2.438 . . . . 0.0 111.875 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.7 -38.47 81.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.649 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.532 ' HB3' ' HB2' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -139.05 15.5 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.804 176.397 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.65 49.79 4.81 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.008 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.09 -42.48 1.37 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.377 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.532 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.589 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.79 -20.16 46.24 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.802 2.335 . . . . 0.0 112.381 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.6 mt -110.61 -172.77 2.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.906 176.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.39 52.8 4.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.034 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.73 135.77 38.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 58.83 33.63 23.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.279 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.476 ' HB3' ' H ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -134.89 -94.07 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.705 178.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.476 ' H ' ' HB3' ' A' ' 7' ' ' HIS . 51.9 t-80 -115.54 143.5 45.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.91 166.88 31.5 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -94.35 34.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.12 0.485 . . . . 0.0 110.842 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 49.8 p90 -161.06 160.99 31.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.465 177.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -81.9 126.45 31.92 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.34 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -59.25 -18.93 41.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -171.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.3 t -78.54 -67.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -177.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 9.5 p -91.09 -3.84 56.79 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.575 -174.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 69.11 1.89 3.39 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.158 0.583 . . . . 0.0 112.232 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.704 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -80.12 142.47 34.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.481 0.182 . . . . 0.0 110.622 179.049 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' HA2' ' HA ' ' A' ' 11' ' ' PHE . . . -104.5 -131.96 7.31 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.488 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.14 -141.38 16.24 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.551 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -99.63 104.0 15.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.28 169.64 9.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.843 -172.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 tp -108.45 107.1 17.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.825 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.81 154.1 22.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.021 0.438 . . . . 0.0 112.017 -171.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 52.2 t -64.84 162.47 16.17 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.426 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -103.54 -10.63 18.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.532 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.7 p -106.59 -39.53 5.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.446 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -115.43 151.74 46.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.109 176.55 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -83.05 36.2 0.61 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.76 2.306 . . . . 0.0 112.47 -176.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.65 120.08 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.098 0.475 . . . . 0.0 111.521 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -86.02 121.69 29.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.914 177.085 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 1.5 m-85 -131.89 173.21 11.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.07 0.462 . . . . 0.0 111.517 -173.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.518 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 10.3 m80 -117.78 150.99 38.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 171.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.596 HG23 ' HA ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -57.79 -26.04 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.329 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -110.14 -3.96 16.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.65 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 89.4 m -98.06 44.22 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.052 0.453 . . . . 0.0 111.511 -178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.583 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -158.19 179.53 9.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.136 177.247 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.625 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 2.3 ttp180 -61.75 -56.42 32.69 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.605 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 98.8 Cg_endo -82.52 72.05 6.21 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.058 1.838 . . . . 0.0 112.12 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.33 129.0 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.636 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.435 ' O ' HD12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -118.72 -170.69 1.95 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.282 -178.447 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -126.72 52.5 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.575 0.226 . . . . 0.0 111.082 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.596 ' HA ' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER 61.02 48.53 6.42 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.431 0.634 . . . . 0.0 110.073 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.525 ' H ' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -101.29 -59.38 0.1 Allowed Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.998 -173.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' H ' ' A' ' 43' ' ' VAL . 44.4 Cg_endo -66.48 157.55 59.98 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.309 2.673 . . . . 0.0 112.13 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -173.76 123.91 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.74 -62.42 4.39 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.825 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.94 61.83 7.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.979 0.418 . . . . 0.0 110.342 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.552 ' HZ2' HD22 ' A' ' 36' ' ' LEU . 42.2 t90 -139.19 160.46 39.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.549 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 12.0 pt20 -157.1 153.94 28.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.666 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -53.95 158.0 3.8 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-O 121.092 0.472 . . . . 0.0 111.368 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.722 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 83.5 Cg_endo -78.92 18.45 1.01 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.239 1.96 . . . . 0.0 110.982 172.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' H ' ' C ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER -113.95 -34.24 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.206 -175.808 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -16.89 57.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 110.042 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.23 57.22 4.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.945 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.428 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -64.91 -55.68 26.1 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.517 -178.387 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.428 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 84.4 Cg_endo -84.43 41.23 0.96 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.188 1.925 . . . . 0.0 112.117 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 155.49 35.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.75 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mp -93.89 114.15 26.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.86 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.722 ' HG3' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -91.66 63.83 4.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.894 0.378 . . . . 0.0 111.245 -176.149 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.66 -36.39 33.42 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.037 175.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.726 176.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.507 0 N-CA-C 111.934 -0.467 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.87 -32.48 55.2 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.012 2.474 . . . . 0.0 112.248 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.8 mt -118.61 49.57 1.28 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.188 0.518 . . . . 0.0 110.312 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.86 -161.28 30.57 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.416 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 61.23 96.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 111.238 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 t0 73.8 119.27 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.935 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -6.55 59.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.006 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -76.52 90.59 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.957 0.408 . . . . 0.0 110.09 178.224 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 ttt -83.02 141.63 31.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.863 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.52 25.05 10.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.294 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 16.4 p90 -162.98 168.83 20.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.377 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.593 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 16.2 m -67.75 123.71 21.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.694 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 1.0 HH21 ' HB3' ' A' ' 53' ' ' CYS . 2.1 ptp180 -63.31 -14.39 49.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG21 ' HG3' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -114.42 -68.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.583 0.706 . . . . 0.0 110.562 -178.283 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.5 10.75 3.55 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -177.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 42.87 39.81 1.88 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 167.059 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.593 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.3 p-10 -115.3 169.33 9.22 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.707 0.289 . . . . 0.0 111.31 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.59 -142.21 4.41 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.529 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.06 -119.31 4.91 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.978 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.44 97.12 9.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 mt -106.47 141.86 37.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.289 -175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.521 ' HB3' ' O ' ' A' ' 32' ' ' HIS . 1.3 tp -86.85 106.08 17.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 m -106.42 133.51 51.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.716 -173.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.43 155.85 34.19 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.138 0.494 . . . . 0.0 112.301 -177.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.474 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 9.1 t70 -93.01 -12.19 31.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.997 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.73 -17.77 21.89 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.243 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.25 159.48 30.98 Favored Pre-proline 0 N--CA 1.448 -0.572 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.507 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.444 ' HB2' ' HA ' ' A' ' 8' ' ' HIS . 96.6 Cg_endo -89.09 58.51 2.23 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.474 2.116 . . . . 0.0 113.278 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -113.55 164.26 13.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.376 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -133.04 140.71 47.85 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.683 0.278 . . . . 0.0 110.95 -177.306 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.585 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 97.2 m-85 -141.88 -179.71 6.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -177.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.698 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 25.6 m80 -78.85 -120.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 168.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.428 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 50.9 pt -136.21 14.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.925 167.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.615 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . 31.2 p-80 -162.67 19.12 0.09 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -174.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.698 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -70.27 -23.66 62.92 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.257 0.551 . . . . 0.0 110.672 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -91.38 -178.77 5.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.607 -178.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.685 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 2.6 mtm180 -60.01 -54.57 54.06 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.536 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.685 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 4.9 Cg_exo -77.25 90.32 1.25 Allowed 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.089 1.859 . . . . 0.0 111.427 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 34' ' ' HIS . . . -71.25 133.21 45.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.84 139.25 41.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.936 0.398 . . . . 0.0 110.549 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -91.28 -30.67 16.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.98 125.23 53.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.502 175.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.38 119.29 55.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.79 60.76 7.96 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.033 2.489 . . . . 0.0 111.797 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.4 124.27 19.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.435 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.32 -142.66 10.22 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.273 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.474 ' HA ' ' HB2' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -85.5 56.16 3.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.372 0.606 . . . . 0.0 110.103 177.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.2 t90 -68.65 134.02 49.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.167 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.724 HE21 ' N ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -103.55 140.22 37.82 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -178.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.724 ' N ' HE21 ' A' ' 49' ' ' GLN . 0.0 OUTLIER -61.72 121.26 63.41 Favored Pre-proline 0 N--CA 1.447 -0.582 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -177.241 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -91.27 17.03 1.45 Allowed 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 123.18 2.587 . . . . 0.0 110.457 167.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HB2' HD23 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -146.54 -50.14 0.21 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -173.287 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.0 ' HB3' HH21 ' A' ' 13' ' ' ARG . 0.0 OUTLIER -83.76 -32.88 25.18 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.472 0.653 . . . . 0.0 110.633 -174.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.646 ' HB ' ' HB2' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -70.16 -22.74 62.94 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.458 -175.59 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.654 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -60.34 -57.7 24.68 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 178.394 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.654 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 15.9 Cg_exo -69.4 -23.42 32.47 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.186 1.924 . . . . 0.0 111.995 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.9 -54.36 8.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 110.469 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.2 mt -116.16 -95.9 0.47 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.892 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 6.2 mmtt -135.92 154.56 51.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.72 -171.58 48.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.425 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.783 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 37.2 Cg_exo -63.15 -59.82 0.21 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.732 2.288 . . . . 0.0 112.469 -177.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.6 mt -123.3 154.16 39.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.751 0.31 . . . . 0.0 110.548 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' N ' ' HG2' ' A' ' 10' ' ' GLU . . . -98.2 71.47 0.63 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.382 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -65.13 0.69 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.957 0.408 . . . . 0.0 110.837 -177.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.58 -63.22 0.05 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -93.02 60.19 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.221 170.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -174.73 149.51 1.22 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.279 -175.026 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.733 ' HB2' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -139.52 146.9 40.51 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.096 -175.175 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -125.54 24.74 7.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.693 174.094 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.681 ' HA ' HD13 ' A' ' 21' ' ' LEU . 30.7 p90 -161.04 162.42 31.7 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.82 -177.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.739 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -75.33 114.07 13.43 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.706 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.44 ' HB3' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -62.01 -13.71 28.44 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.297 -173.71 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.77 -41.22 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.491 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 11.5 p -125.67 -7.46 6.81 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.733 -176.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 70.53 24.4 4.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.316 0.646 . . . . 0.0 111.721 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.883 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 8.2 t0 -107.25 160.29 15.71 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.76 0.314 . . . . 0.0 111.356 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.11 -168.33 21.39 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.645 174.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.74 -118.08 3.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.767 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -77.97 85.86 4.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.681 HD13 ' HA ' ' A' ' 11' ' ' PHE . 84.6 mt -105.45 109.31 21.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.152 -172.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.48 HD11 HG21 ' A' ' 33' ' ' ILE . 6.3 mt -78.38 121.2 24.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.18 171.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.14 128.8 35.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.776 0.322 . . . . 0.0 111.159 -176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.9 m -47.71 145.85 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.876 177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -81.2 -43.27 19.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.309 0.576 . . . . 0.0 110.377 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -100.54 -27.99 13.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.537 -175.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 170.28 5.51 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.196 -172.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.422 ' HB2' ' HA ' ' A' ' 8' ' ' HIS . 68.4 Cg_endo -96.48 13.79 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.638 2.225 . . . . 0.0 112.21 -177.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.733 ' HA ' ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -87.65 167.81 13.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.302 0.572 . . . . 0.0 111.92 -175.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.739 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -128.47 150.86 49.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.555 ' HE1' ' HD3' ' A' ' 52' ' ' ARG . 37.2 m-85 -135.62 157.38 47.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.855 0.36 . . . . 0.0 111.634 -173.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.883 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 5.4 m80 -98.73 145.35 27.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.48 HG21 HD11 ' A' ' 22' ' ' LEU . 1.7 pt -68.78 -10.67 13.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 7.18 10.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.106 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 15.2 m -103.32 5.51 37.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 110.792 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.502 HD21 ' CD1' ' A' ' 31' ' ' TYR . 3.1 mt -102.34 172.94 6.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.053 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.766 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -72.07 -57.74 3.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.165 176.075 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.766 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 6.9 Cg_endo -83.25 82.62 2.06 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.341 2.027 . . . . 0.0 110.8 173.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.01 147.73 52.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.663 -173.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mp -108.66 143.24 38.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.557 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -95.9 1.2 52.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 110.264 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.15 159.56 41.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.539 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.88 110.63 59.84 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.618 0.247 . . . . 0.0 110.909 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -68.14 177.3 4.55 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.826 2.35 . . . . 0.0 111.605 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -86.77 -159.99 0.54 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.589 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.48 33.93 2.27 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.939 176.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 45' ' ' ASP . 18.6 mt-10 -127.2 61.69 1.36 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 22' ' ' LEU . 61.7 t90 -137.13 134.76 36.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.568 -174.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.37 129.61 55.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.293 0.568 . . . . 0.0 110.28 177.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 54' ' ' THR . 0.3 OUTLIER -69.16 136.29 89.22 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.335 -173.057 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.89 11.3 3.37 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.034 2.489 . . . . 0.0 111.646 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HD3' ' HE1' ' A' ' 31' ' ' TYR . 3.5 ttt180 -109.65 -73.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.587 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.57 ' C ' ' HG1' ' A' ' 54' ' ' THR . 0.0 OUTLIER -74.79 -25.87 59.35 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.298 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.57 ' HG1' ' C ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER 64.23 -60.17 0.2 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.732 1.213 . . . . 0.0 112.902 176.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.609 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 9.5 m -157.59 -55.84 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.609 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 1.9 Cg_endo -86.86 79.12 1.76 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.529 2.153 . . . . 0.0 113.041 -175.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.46 15.8 21.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.029 0.442 . . . . 0.0 110.467 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.89 -48.88 6.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.116 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.17 99.31 9.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.101 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.52 -109.19 0.77 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.222 -177.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.452 -0.785 . . . . 0.0 110.17 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.66 -21.3 39.39 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.378 2.052 . . . . 0.0 112.696 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 3' ' ' LEU . 79.4 mt -74.64 133.24 42.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 110.552 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.87 -54.2 4.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.096 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 3.3 m -70.0 -4.71 22.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.715 0.293 . . . . 0.0 111.582 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -65.38 -33.85 76.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.059 0.457 . . . . 0.0 110.335 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -81.36 -60.38 2.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.928 175.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 28' ' ' PRO . 2.2 p-80 -157.91 165.66 34.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.377 177.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -145.28 139.92 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.086 0.469 . . . . 0.0 111.077 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -89.71 37.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.927 -178.524 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -160.85 168.15 25.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.688 ' HB2' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -83.63 120.43 25.96 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -57.79 -26.23 61.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.411 -172.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.0 t -66.3 -73.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.636 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 8.5 p -83.46 -7.24 59.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.617 0.246 . . . . 0.0 111.433 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm 72.36 0.94 3.77 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.526 0.73 . . . . 0.0 112.074 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.636 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 2.8 t0 -79.82 149.93 30.86 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.755 0.312 . . . . 0.0 110.966 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.4 -117.49 3.83 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.211 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.79 -132.96 18.35 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.618 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -91.99 121.11 33.26 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.96 166.14 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.562 -174.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 116.23 31.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.291 -1.004 . . . . 0.0 108.291 172.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 m -91.34 153.71 19.72 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.392 -172.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.583 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 63.9 m -51.93 159.35 0.87 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.93 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -96.05 -9.78 30.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.422 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -118.33 -64.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.031 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.583 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -80.41 167.14 35.18 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.507 -177.014 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.646 ' HB2' ' HB3' ' A' ' 8' ' ' HIS . 41.8 Cg_endo -93.69 31.05 0.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 122.887 2.392 . . . . 0.0 112.198 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.8 167.82 10.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.082 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.665 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 3.4 m -124.28 146.63 48.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.855 177.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.688 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 25.4 m-85 -137.32 168.12 20.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.09 0.471 . . . . 0.0 112.024 -174.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.586 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 21.2 m80 -115.77 153.67 31.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 170.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 pt -71.5 -20.48 21.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -106.58 0.23 24.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 74.7 m -100.31 17.35 21.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.963 0.411 . . . . 0.0 111.858 -176.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -118.18 170.37 8.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.783 175.036 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -68.5 -57.13 8.94 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.269 175.062 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.42 ' HD3' ' CB ' ' A' ' 37' ' ' ARG . 3.6 Cg_exo -76.05 63.74 6.88 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.4 2.067 . . . . 0.0 110.814 174.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.24 148.15 37.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.608 -174.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mp -120.34 157.25 29.63 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.012 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.54 -10.0 20.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.481 . . . . 0.0 109.89 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -132.91 167.97 19.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.744 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 3.7 t -95.24 121.9 61.0 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HB2' ' HB2' ' A' ' 48' ' ' TRP . 5.7 Cg_exo -79.84 73.92 5.79 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.201 2.601 . . . . 0.0 111.563 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.02 117.11 13.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.545 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.13 -89.02 0.5 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.994 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -88.04 105.53 17.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.906 0.384 . . . . 0.0 111.571 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.525 ' HB2' ' HB2' ' A' ' 44' ' ' PRO . 60.5 t90 -167.13 130.55 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.617 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.85 128.3 51.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.76 130.8 94.64 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.854 -175.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.91 37.82 0.52 Allowed 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.872 2.382 . . . . 0.0 111.985 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.62 -57.12 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.566 -177.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.46 65.71 2.74 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.277 0.561 . . . . 0.0 111.108 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -28.71 70.17 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.281 174.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.523 ' SG ' ' HE2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -133.29 116.8 14.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.048 166.208 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HB3' ' HB3' ' A' ' 27' ' ' CYS . 5.2 Cg_endo -53.47 -38.63 83.29 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.77 2.313 . . . . 0.0 112.038 -174.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.65 ' HB1' ' HE2' ' A' ' 59' ' ' LYS . . . -103.5 83.19 2.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.69 173.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 5.6 mt -66.71 96.17 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.463 -177.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.65 ' HE2' ' HB1' ' A' ' 57' ' ' ALA . 23.0 mtmt -119.52 -34.22 3.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.439 -177.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -132.21 75.6 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.346 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.523 ' HE2' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.368 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.89 -35.36 98.82 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.192 2.595 . . . . 0.0 112.651 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.1 mt -108.62 22.85 15.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.521 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.68 13.95 65.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.451 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.33 55.47 1.22 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.187 0.518 . . . . 0.0 110.362 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -121.01 -61.37 1.56 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.77 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -71.47 -39.72 70.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.535 0.683 . . . . 0.0 109.207 174.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.477 ' HB3' ' H ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -146.62 -125.32 0.06 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.843 176.337 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.502 ' SD ' ' HA ' ' A' ' 29' ' ' SER . 16.7 ptm -173.97 131.56 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 174.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.57 37.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.481 0.658 . . . . 0.0 110.435 -178.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.467 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 5.0 p90 -162.85 164.32 26.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.231 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.624 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.36 156.21 16.61 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.76 -175.276 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -74.43 -39.73 62.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -173.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.721 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 39.0 t -83.28 -82.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.661 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -82.41 76.04 9.3 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 118.91 -0.566 . . . . 0.0 110.237 172.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.624 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 4.8 mttt -49.01 64.79 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.836 1.654 . . . . 0.0 113.422 -171.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.531 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 4.3 t70 -119.78 166.6 13.04 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.512 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -96.72 -116.99 3.38 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.68 -131.44 21.45 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.093 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.06 104.1 16.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.9 mt -109.66 113.77 26.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.666 -175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.74 120.68 22.24 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 169.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.65 144.62 31.21 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.919 -174.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.655 ' SG ' ' HB2' ' A' ' 29' ' ' SER . 26.5 m -56.35 155.38 7.04 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.575 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' HB3' ' OE1' ' A' ' 49' ' ' GLN . 39.1 t70 -71.2 -77.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -100.78 19.49 17.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.262 0.553 . . . . 0.0 110.953 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.647 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 1.6 t -128.61 145.98 58.29 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -91.19 52.22 0.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.677 2.251 . . . . 0.0 113.016 -171.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.655 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 1.2 m -131.15 162.99 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.849 0.357 . . . . 0.0 111.075 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 m -137.54 145.16 42.58 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.31 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.535 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 96.9 m-85 -137.91 179.37 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.249 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.724 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 53.9 m80 -99.32 -141.37 0.32 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 pt -123.58 12.62 5.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.299 171.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.56 23.08 1.97 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.564 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.724 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -89.03 -57.61 2.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.186 0.517 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.569 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -80.08 161.04 25.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.818 -176.618 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -51.11 84.16 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.427 178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.569 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 73.7 Cg_endo -73.9 64.39 4.99 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.799 1.666 . . . . 0.0 110.989 174.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 158.43 14.18 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.624 -173.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' HG ' ' CG ' ' A' ' 44' ' ' PRO . 1.9 mm? -105.38 127.42 52.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.075 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -82.11 -24.41 35.17 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -134.09 151.48 51.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.018 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.61 120.54 81.23 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.769 0.318 . . . . 0.0 111.049 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.508 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 13.0 Cg_exo -71.95 145.52 45.36 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.095 2.53 . . . . 0.0 112.05 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -150.48 129.76 12.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.346 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.16 -90.52 0.35 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 78.62 1.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.895 0.378 . . . . 0.0 110.451 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -106.02 112.38 25.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.725 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.437 ' OE1' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -101.88 135.16 43.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.286 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -76.06 143.61 74.18 Favored Pre-proline 0 C--N 1.318 -0.796 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -171.258 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 97.5 Cg_endo -100.24 26.28 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.167 0 C-N-CA 123.55 2.833 . . . . 0.0 111.616 176.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 -59.14 0.67 Allowed 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.518 ' C ' ' HG1' ' A' ' 54' ' ' THR . 0.8 OUTLIER -59.0 -40.67 85.61 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.501 -174.23 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.518 ' HG1' ' C ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER 50.5 58.37 5.59 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.147 0.579 . . . . 0.0 111.218 -179.235 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 27' ' ' CYS . 0.6 OUTLIER -67.65 160.92 70.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.958 -179.411 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -70.26 8.12 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.989 2.459 . . . . 0.0 112.671 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.47 68.3 9.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.217 0.532 . . . . 0.0 109.738 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.8 54.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.958 -176.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -66.87 -31.83 72.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.79 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.07 -69.39 0.21 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.687 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.921 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -61.14 134.92 55.36 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.76 2.307 . . . . 0.0 112.061 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.7 119.6 38.37 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.576 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.06 -179.7 50.98 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.413 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.87 51.34 1.71 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.221 0.534 . . . . 0.0 110.999 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.18 111.75 23.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.964 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.56 -10.17 52.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.167 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -152.21 140.54 20.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.216 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -127.09 112.13 14.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.932 0.396 . . . . 0.0 110.792 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -83.24 -21.52 33.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.393 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -101.3 160.44 14.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.752 176.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.807 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -71.99 143.32 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.915 -177.31 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 -67.58 -51.1 54.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.724 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.511 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 2.4 t -68.42 -75.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.78 30.65 0.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 20.1 mtpt 22.38 58.88 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.789 1.236 . . . . 0.0 113.923 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.868 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 28.4 t70 -150.8 158.36 44.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.721 -176.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.75 -132.79 6.23 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.12 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.8 -82.81 1.18 Allowed Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.533 ' O ' ' HA ' ' A' ' 32' ' ' HIS . 1.3 tp10 -84.03 89.54 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -110.85 97.16 6.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.976 -0.557 . . . . 0.0 112.296 -169.368 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD11 HG23 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -83.15 154.69 24.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.969 169.768 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.42 130.39 47.64 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.981 -178.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.25 147.07 8.23 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 123.764 0.665 . . . . 0.0 111.026 176.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.608 ' HB2' ' HA ' ' A' ' 49' ' ' GLN . 36.9 t70 -64.96 -68.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.611 -177.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.8 t -114.27 0.16 14.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.446 0.641 . . . . 0.0 110.835 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 165.13 14.7 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.601 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -97.12 26.84 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.834 2.356 . . . . 0.0 112.582 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.27 175.53 5.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.318 0.58 . . . . 0.0 111.019 -177.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.807 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 2.6 m -128.34 158.28 38.68 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 14.2 m-85 -140.54 173.27 11.66 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.133 -174.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.868 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 17.5 m80 -91.79 -152.82 0.31 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 168.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.471 HD11 HG22 ' A' ' 33' ' ' ILE . 20.8 pt -114.1 11.94 8.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 167.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 13.3 p-80 -150.33 24.45 0.81 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.688 -174.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.795 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 3.1 m -78.04 -30.01 49.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.098 0.475 . . . . 0.0 110.248 175.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' H ' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -99.91 172.83 6.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.196 -173.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.632 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 1.1 tpm_? -70.52 -53.06 10.3 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.993 177.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.632 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 4.5 Cg_exo -77.43 59.74 6.8 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.402 2.068 . . . . 0.0 111.136 175.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 34' ' ' HIS . . . -79.09 177.9 8.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.423 -175.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.451 HD13 ' HD3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -132.94 168.79 17.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.652 178.53 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.32 -14.95 15.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.296 0.57 . . . . 0.0 109.834 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -121.46 169.55 10.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.198 175.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.37 123.67 45.62 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-O 120.838 0.352 . . . . 0.0 110.219 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HD3' HD13 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -63.4 154.73 66.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.758 2.305 . . . . 0.0 112.089 -177.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -112.24 114.98 28.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.398 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.98 -114.69 4.1 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.56 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.73 149.78 25.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.855 0.36 . . . . 0.0 111.247 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -157.76 104.79 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.018 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.608 ' HA ' ' HB2' ' A' ' 25' ' ' ASP . 1.8 tm0? -86.47 110.42 19.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.9 112.55 6.96 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.674 -174.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -76.98 52.43 3.79 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.717 2.278 . . . . 0.0 112.269 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -142.95 -60.65 0.43 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.073 178.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 45.52 1.21 Allowed 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.41 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.85 75.25 4.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.532 -175.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.44 105.06 53.22 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -58.39 132.4 48.44 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.836 2.357 . . . . 0.0 112.557 -176.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 58.84 55.12 4.76 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.578 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -73.78 -26.51 60.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.458 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 mttp 61.99 55.97 2.42 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.842 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.65 20.19 15.55 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.683 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.599 -0.715 . . . . 0.0 109.7 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 111.913 -0.475 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.82 174.22 11.91 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.8 2.333 . . . . 0.0 112.524 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.05 86.09 4.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.986 176.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.04 -99.43 1.8 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.69 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -124.77 135.62 53.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.005 0.431 . . . . 0.0 110.879 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -124.34 128.59 49.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.242 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 57.45 86.4 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.823 0.702 . . . . 0.0 111.236 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.28 137.12 33.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.784 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.64 ' HB3' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -94.1 62.38 3.04 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.199 -177.564 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.09 40.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.351 0.596 . . . . 0.0 110.021 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 21.8 p90 -157.99 165.67 34.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.365 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.623 ' HA ' ' O ' ' A' ' 30' ' ' SER . 57.0 m -64.26 140.53 58.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.831 0.348 . . . . 0.0 111.459 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.496 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -74.08 -24.97 59.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.217 178.814 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -104.38 -67.06 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.417 0.627 . . . . 0.0 110.848 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -77.79 -0.9 28.86 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 3.5 mttt 45.69 25.89 0.3 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 169.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.53 ' CG ' ' HG ' ' A' ' 12' ' ' CYS . 7.5 p-10 -93.77 159.69 15.09 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.762 0.315 . . . . 0.0 110.547 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.568 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -124.87 35.91 3.0 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.025 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.96 -115.03 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.875 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.8 105.64 3.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 175.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.63 ' HG ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -106.38 105.39 15.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.373 0.606 . . . . 0.0 112.141 -170.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.425 HD23 HG21 ' A' ' 33' ' ' ILE . 5.7 tp -101.13 115.87 31.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.71 173.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 29' ' ' SER . 1.7 m -112.46 149.87 32.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.08 -169.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.87 167.54 21.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.392 175.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -95.52 -23.92 16.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 0.0 110.676 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -81.22 -36.76 29.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.29 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 149.17 47.16 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.052 -175.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.82 35.49 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.975 2.45 . . . . 0.0 112.565 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -104.38 164.15 11.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.5 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.63 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 1.1 m -133.61 152.55 51.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.384 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -141.59 -176.77 4.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.437 . . . . 0.0 111.624 -174.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.785 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 22.0 m80 -82.6 -144.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 165.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.425 HG21 HD23 ' A' ' 22' ' ' LEU . 7.3 pt -117.47 12.74 7.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.567 165.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.406 ' CB ' ' HB1' ' A' ' 39' ' ' ALA . 22.1 p-80 -157.39 24.33 0.29 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -173.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.785 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -71.79 -43.84 65.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.124 0.488 . . . . 0.0 111.126 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' H ' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -82.81 169.07 16.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.787 -176.792 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.661 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 16.4 tpt180 -52.13 -53.11 55.72 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.196 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.661 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 6.6 Cg_exo -74.55 68.79 5.3 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.349 2.033 . . . . 0.0 111.634 178.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.406 ' HB1' ' CB ' ' A' ' 34' ' ' HIS . . . -68.74 141.2 55.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.524 -176.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -97.01 155.38 16.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.248 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.76 15.7 21.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.483 0.658 . . . . 0.0 109.624 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -153.07 165.32 35.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.168 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.7 t -95.6 110.29 50.29 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.497 0.189 . . . . 0.0 110.549 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.75 93.96 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.003 2.469 . . . . 0.0 111.807 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -90.58 104.58 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.671 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 147.28 -77.43 0.25 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.6 111.44 7.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.948 0.404 . . . . 0.0 110.769 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -124.93 143.61 50.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.979 0.419 . . . . 0.0 110.815 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 50' ' ' CYS . 7.2 tp60 -139.66 133.14 30.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.786 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 49' ' ' GLN . 29.5 p -70.71 168.13 22.45 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.074 178.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -59.92 -48.39 12.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.844 1.696 . . . . 0.0 110.171 172.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.77 39.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.237 -1.347 . . . . 0.0 108.193 173.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.427 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER 47.58 53.28 11.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.841 -175.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.3 t -105.53 119.79 40.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.293 -176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' A' ' 13' ' ' ARG . 1.1 m -88.68 -51.69 0.38 Allowed Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.523 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -85.4 85.43 1.18 Allowed 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.528 2.152 . . . . 0.0 112.254 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.74 162.68 12.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.339 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.427 ' HB3' ' H ' ' A' ' 59' ' ' LYS . 1.9 mt 65.36 -98.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.512 0.507 . . . . 0.0 110.82 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' HB3' ' HE3' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -117.23 7.15 12.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.109 0.481 . . . . 0.0 110.601 178.808 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.96 -177.9 16.71 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.914 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.243 0.731 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.804 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.62 ' HG2' ' HG2' ' A' ' 28' ' ' PRO . 23.3 Cg_exo -70.87 -15.65 32.92 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.828 2.352 . . . . 0.0 113.044 -174.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.561 HD21 ' HE2' ' A' ' 9' ' ' MET . 61.5 mt -107.32 12.77 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.764 0.316 . . . . 0.0 110.58 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.1 -89.03 0.32 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.635 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -29.7 64.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.465 ' HB3' HD11 ' A' ' 3' ' ' LEU . 6.2 t0 -108.63 162.65 13.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.312 178.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -107.75 -65.04 1.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.745 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -93.2 173.89 7.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.561 ' HE2' HD21 ' A' ' 3' ' ' LEU . 2.3 ttm -118.11 145.05 45.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.014 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -101.97 25.89 8.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.134 0.492 . . . . 0.0 110.314 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.497 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 44.8 p90 -164.79 155.18 14.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.585 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.641 ' HB2' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.97 118.6 20.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.539 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' HB2' ' HG3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -62.11 -17.6 58.24 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -172.718 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.411 HG23 ' HD1' ' A' ' 31' ' ' TYR . 88.0 t -67.79 -45.28 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.707 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 11.3 p -123.93 -0.92 8.4 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 72.67 -4.03 2.21 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.309 0.643 . . . . 0.0 112.177 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.707 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -84.32 147.57 27.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.582 0.229 . . . . 0.0 110.875 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -108.76 -151.54 14.96 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.704 176.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.31 -112.55 4.03 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.121 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.68 84.0 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.7 ' HG ' ' HB2' ' A' ' 30' ' ' SER . 0.0 OUTLIER -97.43 104.06 16.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.712 -173.122 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.87 113.83 20.07 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.94 149.29 30.86 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.341 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -61.67 160.65 11.21 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 178.676 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.76 -78.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 111.561 -175.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 t -93.93 6.08 49.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.429 0.633 . . . . 0.0 110.568 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 4.8 t -111.9 135.23 21.23 Favored Pre-proline 0 N--CA 1.445 -0.681 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.62 ' HG2' ' HG2' ' A' ' 2' ' ' PRO . 90.2 Cg_endo -91.44 55.78 0.93 Allowed 'Trans proline' 0 C--N 1.329 -0.469 0 C-N-CA 123.303 2.669 . . . . 0.0 113.288 -169.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -128.28 127.07 42.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.123 0.487 . . . . 0.0 111.479 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.7 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -97.21 137.56 36.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.888 -177.866 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.641 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 51.1 m-85 -137.2 175.47 9.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.044 0.45 . . . . 0.0 111.107 -177.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.666 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 13.1 m80 -109.21 142.35 40.16 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 168.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.7 pt -58.13 -30.62 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.193 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -97.89 -0.27 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.61 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 15.5 m -94.63 -21.45 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.003 0.43 . . . . 0.0 110.621 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.11 155.76 38.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.186 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -55.96 -57.09 24.0 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.116 -179.428 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 40.6 Cg_endo -84.73 74.42 4.05 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 121.943 1.762 . . . . 0.0 110.676 173.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.8 128.69 18.73 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.204 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.705 HD23 ' HG3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -99.93 137.9 37.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.125 179.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -86.95 -19.71 28.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.98 0.419 . . . . 0.0 110.523 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.46 150.61 50.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.851 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -71.74 120.13 78.23 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.448 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.705 ' HG3' HD23 ' A' ' 40' ' ' LEU . 52.6 Cg_exo -55.24 147.33 55.86 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.219 2.613 . . . . 0.0 112.941 -176.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.35 138.01 47.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.122 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.92 -108.82 2.61 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.593 173.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 133.19 37.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.569 0.223 . . . . 0.0 111.038 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.468 ' HE3' ' HA ' ' A' ' 24' ' ' CYS . 42.9 t90 -163.47 125.94 2.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.207 0.527 . . . . 0.0 110.769 174.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' HA ' HE21 ' A' ' 49' ' ' GLN . 0.1 OUTLIER -132.43 151.95 51.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.174 174.207 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.812 ' CB ' ' HB3' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -68.66 145.34 96.95 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-O 121.161 0.505 . . . . 0.0 112.258 -172.182 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.79 -25.71 7.5 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.691 2.261 . . . . 0.0 112.203 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -162.32 37.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.532 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.812 ' HB3' ' CB ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -116.84 -35.73 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -178.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -35.87 82.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.385 0.612 . . . . 0.0 110.403 174.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.83 91.4 37.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.817 177.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.477 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 8.7 Cg_exo -75.65 41.82 0.85 Allowed 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.09 2.527 . . . . 0.0 112.475 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.31 -53.92 6.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.328 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.582 HD21 ' HB2' ' A' ' 59' ' ' LYS . 1.2 tt -71.68 -47.53 53.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HB2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -154.82 170.56 21.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.029 -179.572 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.45 -127.24 1.02 Allowed Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.57 ' HG3' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.05 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.007 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.08 -54.61 3.79 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.616 2.211 . . . . 0.0 112.067 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mp -86.28 83.17 7.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.71 -44.3 12.88 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.234 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -80.24 70.57 6.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.422 0.63 . . . . 0.0 110.619 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.37 -40.05 85.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.512 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -143.61 157.75 44.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.03 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -63.78 117.13 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.019 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 11' ' ' PHE . 60.5 mtm -87.33 81.08 8.0 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.133 0.492 . . . . 0.0 109.968 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.34 41.21 0.52 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.449 0.642 . . . . 0.0 110.351 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.535 ' HA ' HD12 ' A' ' 21' ' ' LEU . 15.5 p90 -152.79 167.1 30.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.791 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -71.08 117.21 12.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.686 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.587 ' NH2' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -83.29 20.7 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.401 0.62 . . . . 0.0 109.387 170.79 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.442 ' H ' ' C ' ' A' ' 12' ' ' CYS . 2.2 t -119.09 -53.13 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.669 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 7.3 p -113.16 -0.12 14.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.524 -176.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.61 12.39 8.67 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.364 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.633 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 8.1 t70 -79.59 137.71 37.22 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.918 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' HA2' HD13 ' A' ' 21' ' ' LEU . . . -126.27 28.26 4.85 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.304 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.71 -96.41 0.76 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.87 113.59 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -138.03 176.42 8.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.062 0.458 . . . . 0.0 110.835 -175.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.68 130.83 51.18 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -89.31 169.12 11.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.751 -171.192 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 17.9 t -76.87 -178.81 5.07 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.588 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.13 -11.92 12.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.582 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 -19.97 4.62 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.218 -174.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 18.7 p -128.97 155.19 80.07 Favored Pre-proline 0 C--N 1.328 -0.365 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.231 173.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -81.8 56.44 5.9 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.626 2.217 . . . . 0.0 112.262 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.74 155.24 41.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.843 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.588 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.8 m -122.7 145.48 48.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -129.25 171.91 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.09 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 8.4 m80 -101.65 165.69 11.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 163.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.487 HG22 HG22 ' A' ' 43' ' ' VAL . 11.4 pt -76.68 -10.8 13.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 118.595 0.634 . . . . 0.0 110.434 178.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.57 12.39 16.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.842 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.563 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 9.2 m -110.46 32.11 5.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.526 -178.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD22 HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -136.87 156.43 48.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.311 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.491 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -54.76 -58.48 14.18 Favored Pre-proline 0 CA--C 1.535 0.391 0 O-C-N 123.262 0.351 . . . . 0.0 111.531 -177.196 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 83.3 Cg_endo -84.52 65.1 6.72 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.009 1.806 . . . . 0.0 111.229 175.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.5 137.4 6.68 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.015 -174.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.432 HD12 HD22 ' A' ' 36' ' ' LEU . 1.1 mt -81.67 156.73 24.92 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.4 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -98.05 -9.59 25.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.238 0.542 . . . . 0.0 109.957 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.02 171.89 14.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.753 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 33' ' ' ILE . 43.6 t -86.75 119.18 71.1 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.258 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -58.02 104.12 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.878 2.386 . . . . 0.0 112.459 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -82.07 86.26 6.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.093 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.84 -144.98 15.78 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.971 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.43 128.54 33.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.716 0.293 . . . . 0.0 110.349 -178.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -131.71 148.88 52.62 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -126.01 135.01 51.3 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 3.1 p -67.86 153.57 94.99 Favored Pre-proline 0 C--O 1.238 0.464 0 CA-C-O 121.224 0.535 . . . . 0.0 111.043 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 6.1 Cg_exo -79.85 10.88 2.95 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.109 2.539 . . . . 0.0 111.874 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.587 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 7.0 mmt-85 -115.47 3.68 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.993 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.33 7.17 37.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.003 0.43 . . . . 0.0 109.854 175.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.53 93.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.028 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.05 137.24 84.71 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.564 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -66.97 -19.5 51.92 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.589 2.193 . . . . 0.0 111.951 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.41 148.12 22.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mp -78.06 104.93 8.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.783 0.325 . . . . 0.0 110.509 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -100.52 -40.99 7.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.595 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.54 -53.38 0.17 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.876 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.817 176.896 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.969 -0.453 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.82 77.39 2.29 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.754 2.303 . . . . 0.0 112.112 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.85 37.39 3.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.72 -176.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.82 -111.66 3.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.331 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.78 -66.33 0.91 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t0 48.65 -106.87 0.19 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.981 0.801 . . . . 0.0 111.135 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.556 ' HD2' ' H ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER 64.33 169.12 0.17 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.548 0.689 . . . . 0.0 112.3 176.435 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.556 ' H ' ' HD2' ' A' ' 7' ' ' HIS . 47.3 p-80 -155.55 173.72 16.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.538 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttt -78.95 99.66 6.92 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.3 40.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.923 0.392 . . . . 0.0 111.34 -176.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.483 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 45.7 p90 -168.81 154.93 6.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.285 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 30' ' ' SER . 76.9 m -61.18 146.35 47.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.265 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 28.0 mtt-85 -72.19 -17.62 61.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 174.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -109.53 -74.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.12 0.486 . . . . 0.0 110.669 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.58 12.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' N ' ' HB2' ' A' ' 12' ' ' CYS . 0.7 OUTLIER 40.81 32.14 0.15 Allowed 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 166.027 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' A' ' 11' ' ' PHE . 7.1 p-10 -118.36 162.63 17.99 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.499 -174.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.847 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -124.55 -163.08 11.59 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.728 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.17 -108.82 2.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.705 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.03 68.81 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.847 HD21 ' HA2' ' A' ' 18' ' ' GLY . 1.2 tp -93.7 127.71 39.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.48 -171.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.438 HD13 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -96.75 116.77 29.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.119 175.333 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 6.7 m -100.36 156.29 17.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.061 -176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.98 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 29.9 t -60.53 178.07 0.24 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.784 0.802 . . . . 0.0 111.983 178.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.443 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 3.1 t70 -110.01 -4.48 15.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.417 173.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -130.81 -52.53 1.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.09 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -87.07 163.72 39.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' HB2' ' HA ' ' A' ' 8' ' ' HIS . 92.3 Cg_endo -89.18 9.33 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.29 1.994 . . . . 0.0 112.581 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.69 151.08 39.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.722 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -136.56 150.68 48.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.617 177.41 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 97.4 m-85 -142.4 -175.89 4.63 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.755 -174.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.809 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 18.5 m80 -77.38 -134.87 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 166.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.469 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 5.8 pt -122.59 8.94 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.796 167.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -154.61 16.61 0.45 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -172.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.809 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.5 m -67.27 -48.65 67.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.353 0.597 . . . . 0.0 110.843 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.542 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -65.16 167.88 7.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.889 -176.09 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -53.51 64.96 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.437 178.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.542 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 3.1 Cg_exo -78.33 65.79 8.46 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.277 1.984 . . . . 0.0 110.971 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.92 147.03 52.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.783 -174.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mp -92.55 146.13 23.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.605 175.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -107.35 -1.63 21.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.675 0.75 . . . . 0.0 109.189 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.68 151.17 48.46 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.647 175.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.45 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 21.8 t -81.96 116.25 62.24 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.335 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 43' ' ' VAL . 8.0 Cg_exo -76.06 107.73 2.53 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.925 2.417 . . . . 0.0 112.194 -175.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.02 138.96 31.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.586 177.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.62 -133.72 11.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.074 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.32 160.1 21.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.562 0.22 . . . . 0.0 110.693 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -162.42 161.06 27.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.968 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.98 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 10.6 pt20 -164.58 151.87 11.53 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.125 178.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -60.76 171.0 1.17 Allowed Pre-proline 0 CA--C 1.535 0.403 0 CA-C-O 121.2 0.524 . . . . 0.0 112.197 -176.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -92.57 6.39 3.2 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.719 2.28 . . . . 0.0 110.4 172.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' H ' ' HB2' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -100.89 -10.3 20.78 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.619 -173.381 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -36.39 74.0 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.385 0.612 . . . . 0.0 109.78 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.0 p -134.42 -79.99 0.45 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.296 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.29 172.24 1.13 Allowed Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.02 -11.78 31.5 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.172 1.914 . . . . 0.0 112.004 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.14 -166.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.986 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.12 46.64 7.94 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.161 0.505 . . . . 0.0 111.139 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 37.13 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.541 0.686 . . . . 0.0 109.87 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.63 -37.61 2.0 Allowed Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.22 174.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.71 112.51 3.51 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.854 2.369 . . . . 0.0 111.722 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.27 162.17 17.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.815 0.341 . . . . 0.0 110.638 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.31 -82.35 0.47 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.009 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -130.44 66.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.087 0.47 . . . . 0.0 110.74 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -105.11 -50.94 3.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -106.43 129.83 54.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.282 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 64.63 70.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.341 0.591 . . . . 0.0 110.684 -176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.5 mtt -72.13 130.64 41.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.423 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.54 2.72 55.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.692 0.758 . . . . 0.0 109.364 175.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.866 ' HA ' ' HA3' ' A' ' 18' ' ' GLY . 14.3 p90 -125.93 170.92 11.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.746 -1.116 . . . . 0.0 108.867 174.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.633 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 2.3 m -72.49 126.69 30.47 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.171 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -15.08 62.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.33 173.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.513 HG22 ' HE1' ' A' ' 31' ' ' TYR . 63.0 t -102.73 -69.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.603 -177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.747 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -79.62 -11.78 59.86 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -173.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 3.6 mmtt 75.48 -4.71 2.32 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.361 0.665 . . . . 0.0 112.094 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.747 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 2.0 m-20 -91.7 136.03 33.44 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.866 ' HA3' ' HA ' ' A' ' 11' ' ' PHE . . . -154.89 -145.2 4.11 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.91 -112.89 3.59 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.573 -177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -105.49 80.9 1.62 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD12 ' HA2' ' A' ' 18' ' ' GLY . 2.6 pt? -134.98 -175.91 4.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.07 -173.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 146.39 51.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 0.8 OUTLIER -155.47 148.61 24.67 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.271 -0.268 . . . . 0.0 110.703 -176.123 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -60.63 134.59 57.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.806 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.54 -30.31 16.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.262 0.553 . . . . 0.0 110.489 -176.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -107.18 9.29 30.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.729 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.16 144.21 25.21 Favored Pre-proline 0 N--CA 1.446 -0.669 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.971 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -87.2 72.98 3.02 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.22 1.947 . . . . 0.0 113.747 -171.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.612 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 75.3 m -152.87 172.95 15.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.082 177.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 15.9 m -134.26 145.26 48.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.308 175.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.633 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 28.6 m-85 -145.81 169.81 17.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 112.209 -175.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.893 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 54.9 m80 -116.64 175.68 5.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 168.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 pt -80.93 62.66 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.321 0.581 . . . . 0.0 110.469 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.65 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.47 -175.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.893 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -79.47 41.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.446 -171.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.38 161.1 40.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 172.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.538 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -61.26 -58.31 19.73 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.532 -175.15 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 1.7 Cg_endo -81.2 58.15 6.82 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.351 2.034 . . . . 0.0 111.349 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 140.04 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.302 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.13 166.97 10.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.098 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -99.28 -24.83 14.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.249 0.547 . . . . 0.0 109.722 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.92 135.07 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.488 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.2 t -75.67 125.05 88.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.011 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 43' ' ' VAL . 7.1 Cg_exo -74.96 173.68 14.09 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.063 2.509 . . . . 0.0 112.318 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -80.68 -177.63 6.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.94 -40.37 97.15 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.916 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.88 84.77 2.82 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -130.42 143.72 50.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.943 -173.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -120.18 124.63 46.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.485 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 4.5 p -65.25 166.74 12.2 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.441 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.53 ' HB3' ' HG2' ' A' ' 38' ' ' PRO . 9.9 Cg_endo -51.39 -51.17 11.76 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.116 1.877 . . . . 0.0 110.0 172.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HA ' ' HD2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 178.64 34.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.298 169.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 45.54 53.42 8.45 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.5 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.25 66.81 8.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.024 -172.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -52.82 33.57 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.621 175.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -83.51 54.12 4.45 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.676 2.251 . . . . 0.0 111.11 174.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.34 -26.96 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.6 -175.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.37 78.07 2.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.422 . . . . 0.0 110.654 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -139.99 -17.54 0.94 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.814 -176.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.68 -100.27 1.19 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.39 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.27 173.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -70.02 110.59 2.65 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.826 2.35 . . . . 0.0 112.825 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -72.94 -34.59 66.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.661 175.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.474 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -87.23 67.31 3.36 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.99 -58.2 3.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.486 -0.357 . . . . 0.0 111.371 -174.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -147.73 96.0 2.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.896 0.379 . . . . 0.0 110.362 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.08 153.02 32.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.809 -176.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.42 -67.08 0.25 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.951 0.782 . . . . 0.0 111.023 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.888 ' HE2' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER 62.05 -168.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.665 177.046 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.98 -33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.543 -179.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.564 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 4.5 p90 -120.79 162.69 19.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -174.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.714 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 13.3 m -62.74 145.35 55.01 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.207 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.888 ' HG3' ' HE2' ' A' ' 9' ' ' MET . 1.7 mtp180 -70.13 -23.3 62.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.683 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.453 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 1.3 t -112.37 -65.05 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.24 0.543 . . . . 0.0 110.85 -178.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.72 6.0 9.93 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.564 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 11.3 mmtt 41.66 31.51 0.2 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 168.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.584 ' CG ' ' HG ' ' A' ' 12' ' ' CYS . 5.8 p-10 -98.42 153.28 18.69 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 122.336 -0.227 . . . . 0.0 110.495 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.36 -173.69 13.23 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.839 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.33 -110.25 3.82 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.156 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -81.48 68.6 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.132 0.491 . . . . 0.0 110.747 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.27 164.42 26.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.162 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.03 146.09 28.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.995 0.426 . . . . 0.0 111.657 -173.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.38 150.09 42.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.53 175.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.703 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 13.3 t -58.98 161.9 4.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.456 0.646 . . . . 0.0 111.372 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.39 -35.93 58.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.308 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -102.13 -39.26 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.57 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.799 ' HB3' HH12 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -108.58 164.39 14.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.548 -174.483 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -89.74 4.17 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.414 2.076 . . . . 0.0 112.841 -176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.57 121.29 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.436 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.53 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.7 OUTLIER -111.3 136.72 50.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.198 -175.061 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.714 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 78.3 m-85 -143.97 -175.91 4.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.216 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.795 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 31.2 m80 -79.41 -114.15 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 168.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pt -133.8 9.73 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.816 170.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -155.77 18.9 0.39 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.795 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -87.16 -0.03 56.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.118 0.485 . . . . 0.0 110.925 -176.065 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.579 HD11 ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -117.45 -175.86 2.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.421 -176.83 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.918 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 1.8 mtm180 -58.05 -61.98 6.38 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.344 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.918 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 2.2 Cg_endo -79.96 95.47 1.02 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.221 1.947 . . . . 0.0 111.585 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.78 143.7 30.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.35 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -100.27 165.5 11.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.391 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -90.25 -40.81 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.229 0.538 . . . . 0.0 109.788 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -130.7 173.26 11.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.042 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.78 125.22 84.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -54.19 142.38 67.37 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.994 2.462 . . . . 0.0 112.871 -175.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.72 -38.35 6.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.079 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.77 -97.17 1.1 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.385 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -116.05 166.86 11.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.097 0.475 . . . . 0.0 111.293 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.499 ' HZ2' HD21 ' A' ' 36' ' ' LEU . 65.3 t90 -159.25 137.16 10.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.789 176.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -137.74 143.19 41.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 -179.402 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.703 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 1.3 p -71.91 167.42 31.49 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.293 178.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -87.43 5.6 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.398 2.065 . . . . 0.0 112.357 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.799 HH12 ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -88.14 -16.08 34.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.467 -175.618 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.1 -16.23 20.6 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.223 0.535 . . . . 0.0 110.585 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.61 -29.53 30.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.96 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 81.5 m -68.46 -53.2 17.99 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.603 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.457 ' HA ' ' HG3' ' A' ' 61' ' ' LYS . 71.9 Cg_endo -72.92 147.7 44.27 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.65 1.567 . . . . 0.0 111.597 176.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.89 175.35 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.568 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.518 ' H ' ' HG ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.63 66.84 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.389 0.614 . . . . 0.0 110.363 178.671 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.85 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.728 -1.123 . . . . 0.0 108.76 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.84 -156.69 22.25 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.316 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HG3' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.201 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.946 177.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.3 -53.89 2.13 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 123.005 2.47 . . . . 0.0 112.157 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -50.59 9.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.374 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.89 99.35 1.14 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.899 177.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.34 126.78 54.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.598 0.237 . . . . 0.0 110.77 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.47 125.98 26.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.409 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.45 ' CD2' ' HB3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -127.38 146.79 50.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.6 -178.051 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -58.64 -36.7 74.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.078 0.466 . . . . 0.0 110.582 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.461 ' HB2' ' HE1' ' A' ' 9' ' ' MET . 1.6 mtm -128.72 72.99 1.47 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.567 175.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -77.07 5.11 8.72 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.03 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.552 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 3.0 p90 -137.2 162.02 34.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.072 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.709 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 7.6 m -64.5 131.33 46.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.537 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -60.09 -29.57 68.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.682 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.07 -66.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.503 0.668 . . . . 0.0 111.152 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.24 4.68 12.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -177.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER 50.0 16.88 0.26 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 166.333 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.554 ' CG ' ' HG ' ' A' ' 12' ' ' CYS . 6.8 p-10 -83.16 155.31 23.84 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 122.119 -0.363 . . . . 0.0 110.252 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.84 -165.0 10.69 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.288 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.33 -112.35 4.2 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.748 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -97.31 104.63 16.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mp -122.16 174.09 7.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.145 0.498 . . . . 0.0 111.47 -177.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.45 ' HB3' ' O ' ' A' ' 32' ' ' HIS . 14.6 tp -102.09 104.41 15.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.708 171.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 163.68 12.29 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.181 -171.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.837 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 33.7 t -69.01 -176.67 0.9 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.28 0.562 . . . . 0.0 110.559 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 12.9 t70 -108.91 -41.01 4.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.228 176.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -92.18 -26.71 18.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.406 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -119.71 155.82 54.36 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.503 -179.351 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . 3.9 Cg_exo -86.61 26.08 0.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.97 2.447 . . . . 0.0 112.52 -175.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.47 129.86 34.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 7.1 m -118.77 140.07 50.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 111.441 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.709 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 97.5 m-85 -141.64 -174.48 4.07 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.129 -177.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.751 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 39.1 m80 -82.24 -122.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 168.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.0 pt -134.09 14.14 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.07 169.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -153.99 14.77 0.47 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -172.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.751 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.2 m -78.82 -25.58 44.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.161 0.505 . . . . 0.0 110.493 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -95.51 178.93 5.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.615 -178.285 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.744 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 15.3 ttt180 -63.53 -54.39 43.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.388 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 3.2 Cg_exo -75.45 69.87 5.76 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.292 1.995 . . . . 0.0 111.553 177.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.96 144.56 54.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.652 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.24 164.77 12.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.368 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -93.5 -22.22 18.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.002 0.43 . . . . 0.0 110.236 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.8 172.74 12.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.913 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.41 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 10.3 t -77.78 119.49 77.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.195 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 43' ' ' VAL . 13.3 Cg_endo -57.06 147.08 77.34 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.926 2.417 . . . . 0.0 112.095 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -83.45 82.28 8.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.198 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.55 -63.17 3.06 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.248 -0.501 . . . . 0.0 113.306 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -66.16 110.25 2.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.935 0.398 . . . . 0.0 111.286 -177.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -174.73 146.59 0.97 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.007 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.513 ' HG2' ' SG ' ' A' ' 24' ' ' CYS . 5.2 mt-30 -141.42 147.37 37.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.949 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.837 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 1.8 p -67.65 156.31 89.23 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.988 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.494 ' HG3' ' HB3' ' A' ' 36' ' ' LEU . 98.6 Cg_endo -81.18 23.19 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.509 2.139 . . . . 0.0 113.126 -176.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 52' ' ' ARG . 5.6 mtm180 -111.59 -21.69 11.6 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -84.35 -28.25 27.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.686 0.755 . . . . 0.0 109.334 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.86 127.23 31.17 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.125 179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 92.97 23.63 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -65.59 150.15 86.79 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.503 2.135 . . . . 0.0 112.537 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.88 -170.9 2.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.132 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.18 88.25 6.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 68.65 -72.92 0.09 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.167 -176.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.47 129.37 3.43 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.616 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.1 tttt . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.364 -179.633 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -67.71 -45.37 3.37 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.561 2.174 . . . . 0.0 112.053 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 6' ' ' ASP . 0.5 OUTLIER 70.24 -58.92 0.53 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.806 0.842 . . . . 0.0 111.968 178.319 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.58 94.23 1.83 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m 65.0 52.9 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -171.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 13.7 t70 -69.25 96.53 0.85 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.712 -176.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.43 103.64 8.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.811 -177.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -69.46 105.96 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.161 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.444 ' SD ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -92.52 118.65 31.21 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.832 -172.149 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.73 -21.74 25.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.506 ' HA ' HD21 ' A' ' 21' ' ' LEU . 5.3 p90 -116.57 -172.56 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.743 172.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -91.09 157.79 17.03 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.017 -177.843 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.498 ' O ' ' HE3' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -70.36 -54.44 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.205 -175.55 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.581 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 18.1 t -77.76 -69.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.637 0.256 . . . . 0.0 111.573 -174.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.526 ' C ' ' HG ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -94.7 69.23 3.42 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.238 176.768 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 13' ' ' ARG . 1.5 mptt -37.38 75.72 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.35 1.86 . . . . 0.0 113.464 -174.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 t0 -155.43 177.2 11.63 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.192 -175.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.1 148.19 11.91 Favored Glycine 0 N--CA 1.448 -0.545 0 O-C-N 123.672 0.608 . . . . 0.0 112.688 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.76 -57.01 1.56 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 175.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.54 115.66 24.46 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 171.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.506 HD21 ' HA ' ' A' ' 11' ' ' PHE . 1.7 mm? -103.29 -177.05 3.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.504 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.471 ' O ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -112.96 139.82 48.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 177.819 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 29' ' ' SER . 62.6 m -110.9 150.52 29.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.54 -169.53 1.05 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.542 0.687 . . . . 0.0 111.786 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -94.59 -8.62 37.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.665 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 p -118.22 -49.33 2.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.989 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.469 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -109.74 161.18 25.18 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.714 -172.393 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -86.05 24.01 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.059 2.506 . . . . 0.0 112.055 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.521 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -75.02 152.72 38.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.361 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.572 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 46.6 m -128.2 137.08 51.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.974 0.416 . . . . 0.0 110.448 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -132.48 169.79 16.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.727 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.771 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 30.4 m80 -86.4 -132.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 169.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.0 pt -127.73 7.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.759 0.314 . . . . 0.0 110.517 171.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -143.43 8.84 1.59 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.771 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.5 m -71.47 -33.56 69.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.39 0.614 . . . . 0.0 110.124 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' H ' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -86.22 169.36 13.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.288 178.215 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -51.2 41.43 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.551 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.23 72.22 5.47 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.27 1.98 . . . . 0.0 111.517 177.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.34 134.96 57.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mp -92.54 154.53 18.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.307 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -81.8 -38.72 25.12 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.98 158.86 28.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.74 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.559 HG13 ' HD2' ' A' ' 44' ' ' PRO . 17.4 t -63.22 127.16 90.63 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.398 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.559 ' HD2' HG13 ' A' ' 43' ' ' VAL . 51.5 Cg_endo -78.02 63.29 8.16 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.69 2.26 . . . . 0.0 111.623 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -77.32 113.31 14.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.713 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 124.38 -117.54 3.11 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.927 -0.578 . . . . 0.0 112.039 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.76 123.06 27.9 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 122.287 0.235 . . . . 0.0 110.472 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -171.49 131.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.558 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.78 148.02 43.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 133.5 84.96 Favored Pre-proline 0 C--N 1.319 -0.727 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -170.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -86.67 12.18 3.07 Favored 'Trans proline' 0 N--CA 1.446 -1.322 0 C-N-CA 122.963 2.442 . . . . 0.0 110.297 167.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.04 -70.69 0.71 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.858 -175.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.415 ' HB3' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -84.02 47.23 1.28 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.257 0.551 . . . . 0.0 111.324 -177.081 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -93.0 38.86 1.03 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.734 175.216 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.535 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 75.5 m 108.77 -65.75 0.0 OUTLIER Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 126.308 1.843 . . . . 0.0 110.85 -177.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.535 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 84.3 Cg_endo -84.81 64.88 6.47 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.957 1.771 . . . . 0.0 112.215 177.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.77 -48.68 78.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.06 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.46 -71.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.218 177.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -140.58 98.25 3.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.04 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.62 121.57 9.84 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.469 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.147 -0.93 . . . . 0.0 109.523 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -63.3 98.58 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.904 2.403 . . . . 0.0 111.906 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mp -89.77 151.7 21.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.194 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.835 ' HA2' ' HB3' ' A' ' 8' ' ' HIS . . . 97.62 34.74 5.41 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.809 -178.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -71.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.724 0.297 . . . . 0.0 111.344 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -128.38 -40.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.221 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -114.54 68.64 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.739 0.304 . . . . 0.0 110.859 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.835 ' HB3' ' HA2' ' A' ' 4' ' ' GLY . 7.5 t-160 -176.99 108.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.756 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.06 91.87 3.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.415 -178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.48 40.93 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.266 0.555 . . . . 0.0 110.536 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.646 ' HA ' HD23 ' A' ' 21' ' ' LEU . 37.2 p90 -166.04 167.54 16.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.853 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.552 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 62.3 m -62.69 138.55 58.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.061 0.458 . . . . 0.0 111.691 -176.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -68.3 -31.7 71.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.067 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 t -99.37 -67.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.317 0.58 . . . . 0.0 110.875 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.97 7.68 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 4.1 mttm 38.13 36.12 0.1 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 168.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.552 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.3 p-10 -113.46 173.16 6.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.642 0.258 . . . . 0.0 111.646 -173.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.868 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -135.26 -161.31 9.31 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.638 177.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.41 -105.59 3.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.849 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.82 70.93 5.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.868 HD21 ' HA2' ' A' ' 18' ' ' GLY . 1.8 tp -109.95 142.58 41.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.151 -172.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.5 136.25 52.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.987 176.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.18 141.21 52.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.943 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.822 ' HB3' ' HA ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -68.42 168.74 12.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.507 0.67 . . . . 0.0 111.718 -177.355 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -90.55 -10.5 43.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.684 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.23 -36.96 6.4 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.925 -169.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 1.027 ' HB3' ' HB3' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -137.57 157.21 74.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.052 179.238 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.823 ' HB2' ' HD2' ' A' ' 8' ' ' HIS . 84.5 Cg_endo -85.13 59.85 5.45 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.608 2.205 . . . . 0.0 112.913 -174.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -119.56 167.1 12.32 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.497 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 16.4 m -146.83 150.47 35.35 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -176.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.869 ' HD1' ' HB2' ' A' ' 35' ' ' CYS . 93.5 m-85 -146.41 -178.29 6.08 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.872 -178.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.801 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 22.8 m80 -79.07 -116.77 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 166.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.693 HG21 ' HD2' ' A' ' 44' ' ' PRO . 16.1 pt -137.06 15.5 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.968 169.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.621 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 37.2 p-80 -161.59 24.03 0.12 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -173.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.869 ' HB2' ' HD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -89.78 -19.96 24.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.702 0.763 . . . . 0.0 109.943 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD22 ' HZ2' ' A' ' 48' ' ' TRP . 0.5 OUTLIER -98.05 -142.27 0.3 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.619 -175.546 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -59.26 176.12 0.31 Allowed Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 123.316 0.646 . . . . 0.0 110.634 176.702 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' HB3' ' A' ' 37' ' ' ARG . 61.9 Cg_exo -19.86 108.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.535 1 C-N-CA 125.318 4.012 . . . . 0.0 114.739 -179.095 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' ' 34' ' ' HIS . . . -45.79 138.79 4.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.409 -1.269 . . . . 0.0 112.947 -173.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.45 130.22 34.96 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.62 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.33 -19.87 52.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.966 0.412 . . . . 0.0 110.632 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -127.74 151.92 48.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.231 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.04 120.83 70.26 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.693 ' HD2' HG21 ' A' ' 33' ' ' ILE . 9.4 Cg_endo -60.3 131.35 38.17 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.495 2.13 . . . . 0.0 112.332 -175.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -125.11 132.3 53.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.147 -178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.38 -153.91 16.91 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.745 -176.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.81 90.39 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.988 0.423 . . . . 0.0 110.712 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 79.5 t90 -97.93 148.82 23.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.521 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.822 ' HA ' ' HB3' ' A' ' 24' ' ' CYS . 21.3 mt-30 -137.97 137.5 38.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.545 0.212 . . . . 0.0 110.537 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -81.76 167.4 31.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.37 178.708 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -80.86 14.19 2.13 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.463 2.109 . . . . 0.0 112.525 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.523 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 4.1 mmt180 -113.34 -20.56 11.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.027 ' HB3' ' HB3' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -70.69 -56.2 6.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.647 177.363 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.431 ' HG1' ' C ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER 50.06 62.06 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.623 175.82 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.52 114.99 62.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.759 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -81.18 45.89 2.11 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.789 2.326 . . . . 0.0 112.448 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.64 68.66 0.81 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.101 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.501 ' HA ' HD21 ' A' ' 58' ' ' LEU . 67.2 mt -63.95 -33.78 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.884 -177.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -129.26 -52.55 1.19 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.445 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.28 108.65 0.32 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.237 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.045 -0.978 . . . . 0.0 109.855 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.473 ' SD ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 121.195 0.521 . . . . 0.0 111.008 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -90.46 27.6 1.67 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.065 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -150.15 174.32 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.285 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.791 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 1.7 m -69.68 131.09 44.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.053 -176.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HG2' ' SD ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -56.34 -42.19 77.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.224 178.471 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.34 -55.49 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.581 0.705 . . . . 0.0 111.747 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 24.1 3.74 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.565 -1.198 . . . . 0.0 114.232 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm 30.89 65.4 0.16 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.023 -0.989 . . . . 0.0 113.018 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.469 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -77.69 -170.03 1.7 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.113 -177.1 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.89 -35.86 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.228 -0.987 . . . . 0.0 113.282 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.69 -97.37 1.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.906 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.34 126.37 29.56 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.434 ' HG ' ' CB ' ' A' ' 30' ' ' SER . 0.2 OUTLIER -141.39 140.77 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.063 0.459 . . . . 0.0 111.603 -176.082 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.1 tp -118.49 115.87 25.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -113.24 163.74 14.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.468 -172.058 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -175.78 2.31 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.09 0.471 . . . . 0.0 111.161 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -114.57 19.93 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.483 0.659 . . . . 0.0 109.484 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -131.92 -55.38 0.99 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.054 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 162.72 19.6 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.793 -176.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -92.08 57.47 0.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 122.775 2.317 . . . . 0.0 112.964 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -124.29 149.09 46.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.187 176.784 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.655 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.8 m -124.93 144.36 50.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.848 -177.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.791 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 95.0 m-85 -137.72 -177.16 4.68 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.983 0.42 . . . . 0.0 111.174 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.691 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 43.8 m80 -83.55 -122.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 169.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.436 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 48.3 pt -132.22 8.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.518 168.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -153.33 22.89 0.55 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.691 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -75.92 -20.68 57.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.519 0.676 . . . . 0.0 111.056 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.72 HD13 ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -100.29 172.48 7.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.183 -178.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -61.56 -51.25 78.25 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.428 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 7.3 Cg_exo -71.93 68.78 3.09 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.208 1.939 . . . . 0.0 110.819 175.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.6 148.89 30.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.986 -171.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mp -117.44 151.24 37.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.54 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -107.42 -7.53 16.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.686 0.755 . . . . 0.0 109.051 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -105.52 151.35 24.4 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.712 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.89 117.52 68.87 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -70.56 98.17 0.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.632 2.221 . . . . 0.0 111.385 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -19.2 60.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.539 -174.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.94 -95.88 1.97 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.619 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -112.36 165.32 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.84 0.352 . . . . 0.0 110.803 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.456 ' HH2' ' CD2' ' A' ' 31' ' ' TYR . 90.1 t90 -170.88 138.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.658 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.69 162.9 33.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.342 0.591 . . . . 0.0 111.366 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.94 163.79 62.03 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.161 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.72 ' HD3' HD13 ' A' ' 36' ' ' LEU . 51.7 Cg_endo -67.02 -46.4 3.19 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 121.815 1.676 . . . . 0.0 110.104 171.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.456 173.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 11' ' ' PHE . 12.3 ptp . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -79.3 -18.63 52.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.145 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.519 ' O ' ' HG3' ' A' ' 9' ' ' MET . 35.2 p90 -93.97 -179.44 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.499 174.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.757 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -93.04 150.94 20.18 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.273 -175.36 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG2' ' SD ' ' A' ' 9' ' ' MET . 12.3 mtp180 -70.8 -42.12 70.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.094 -173.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.507 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 3.3 t -83.67 -80.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.169 -176.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -84.01 71.86 10.5 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 119.299 -0.382 . . . . 0.0 110.362 173.505 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -47.4 69.48 0.0 OUTLIER 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.868 1.667 . . . . 0.0 113.101 -172.147 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.8 t0 -127.53 173.3 9.97 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.547 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.715 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -100.51 -129.92 6.83 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 177.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.72 -143.8 25.93 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.705 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.29 109.34 15.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.805 0.336 . . . . 0.0 110.286 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.715 HD11 ' HA2' ' A' ' 18' ' ' GLY . 1.8 mt -123.11 143.63 49.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.399 -176.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.408 HD22 ' HD2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -117.99 154.97 31.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.055 174.722 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 152.88 40.37 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 121.357 -0.137 . . . . 0.0 110.832 -176.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -170.76 1.31 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.575 0.702 . . . . 0.0 111.871 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -90.16 -29.01 18.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.179 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.8 p -101.06 -58.7 1.83 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.988 -172.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -91.35 156.61 43.4 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.125 -171.54 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 4.9 Cg_endo -88.81 31.55 0.4 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.483 2.789 . . . . 0.0 111.99 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.02 149.11 21.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.21 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.757 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.5 m -115.29 147.17 40.75 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.883 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.471 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 68.1 m-85 -135.7 165.0 26.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.781 -175.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.704 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 61.7 m80 -94.87 -163.58 1.07 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 167.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.694 ' HB ' ' HB2' ' A' ' 40' ' ' LEU . 4.9 pt -108.04 20.97 4.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 119.984 -0.687 . . . . 0.0 111.09 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -145.38 12.84 1.37 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -79.36 -24.37 42.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.955 0.407 . . . . 0.0 111.114 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' H ' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -95.59 -179.04 4.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.396 -177.825 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.651 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 9.3 mmp_? -67.22 -55.56 15.29 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.157 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 4.1 Cg_exo -76.46 102.1 1.57 Allowed 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.293 1.995 . . . . 0.0 111.291 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.22 130.01 40.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.751 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.694 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 1.3 mp -93.52 139.07 31.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.974 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -100.66 -2.17 33.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.197 0.522 . . . . 0.0 109.994 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.3 136.52 21.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.641 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.73 120.43 75.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.21 0.528 . . . . 0.0 111.393 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HD2' HD22 ' A' ' 22' ' ' LEU . 97.3 Cg_endo -84.48 87.71 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.054 2.503 . . . . 0.0 112.604 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -99.06 97.4 8.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.993 0.425 . . . . 0.0 110.475 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 163.25 -104.41 0.23 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.997 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.3 89.15 3.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.055 0.455 . . . . 0.0 110.184 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -143.32 137.16 28.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.153 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.68 162.9 26.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.343 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -90.59 160.37 39.09 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.805 -168.719 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 93.4 Cg_endo -102.8 17.65 0.23 Allowed 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 123.746 2.964 . . . . 0.0 110.91 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -83.31 4.1 28.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.575 176.819 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.539 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 22.9 p90 -148.26 170.92 16.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.482 -177.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -87.07 122.89 31.52 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.217 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HD2' ' HE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -61.58 -10.43 8.14 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -173.009 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.52 -69.03 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.594 0.235 . . . . 0.0 111.246 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 13.7 p -89.7 -2.26 58.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.626 0.25 . . . . 0.0 111.404 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 67.05 11.36 8.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.24 0.616 . . . . 0.0 111.642 179.738 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.598 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -98.74 149.89 22.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.852 179.256 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' A' ' 11' ' ' PHE . . . -97.18 -159.02 31.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.84 176.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.15 -129.16 8.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.066 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.52 94.89 9.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.228 0.537 . . . . 0.0 110.052 177.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD21 ' HA2' ' A' ' 18' ' ' GLY . 5.2 mt -105.5 148.57 27.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.115 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 22' ' ' LEU . 1.5 mm? -99.95 126.71 46.14 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.179 174.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.3 m -89.28 137.86 31.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.749 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 45.6 m -53.34 162.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.921 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -88.34 -4.71 58.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.81 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.52 HG23 ' SG ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -155.32 -51.78 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.444 -178.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -75.32 168.98 22.73 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -176.147 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -98.3 45.75 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.779 2.319 . . . . 0.0 112.767 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.85 158.92 22.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.54 -177.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.558 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -128.11 129.49 46.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.798 176.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.422 ' HE1' ' HD2' ' A' ' 13' ' ' ARG . 63.9 m-85 -125.71 164.87 19.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.213 -175.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.54 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 7.8 m80 -99.33 152.07 20.35 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 168.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.409 HG12 ' H ' ' A' ' 33' ' ' ILE . 1.3 pt -58.44 -38.79 72.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 123.085 0.241 . . . . 0.0 111.609 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.445 ' HA ' ' HB1' ' A' ' 39' ' ' ALA . 19.8 p-80 -103.16 15.12 30.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 34.0 m -103.75 2.79 33.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.145 0.497 . . . . 0.0 110.811 177.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mt -96.15 167.04 11.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.53 172.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.636 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 2.2 mtm180 -61.73 -54.14 54.24 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.742 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.636 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 1.8 Cg_endo -79.64 63.8 8.78 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.667 2.245 . . . . 0.0 110.506 172.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' A' ' 34' ' ' HIS . . . -53.69 135.85 40.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.254 -173.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.1 151.85 28.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.657 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -109.99 -1.29 17.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.086 0.47 . . . . 0.0 110.098 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -127.94 143.76 51.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.138 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -80.1 137.06 53.29 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.403 179.696 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HD2' HD11 ' A' ' 22' ' ' LEU . 37.8 Cg_exo -65.01 157.77 55.34 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.832 2.355 . . . . 0.0 111.891 -177.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.63 -43.4 55.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.01 -49.31 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.389 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.04 80.42 3.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.872 0.368 . . . . 0.0 111.311 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -111.46 146.27 37.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.42 134.15 41.3 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.72 117.59 63.6 Favored Pre-proline 0 N--CA 1.445 -0.699 0 CA-C-O 121.092 0.472 . . . . 0.0 112.122 -172.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.09 38.98 0.78 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.76 2.307 . . . . 0.0 111.399 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.713 -176.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.959 0.409 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -87.07 41.96 1.0 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.281 0.562 . . . . 0.0 110.163 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 55.4 p90 -168.4 164.45 12.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.355 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -78.64 122.56 26.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.474 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -70.77 17.0 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.2 t -103.19 -69.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.873 0.368 . . . . 0.0 110.496 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.731 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 10.4 p -89.49 -7.1 55.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.603 -176.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 74.13 2.08 4.06 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.433 0.693 . . . . 0.0 112.298 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.731 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -84.05 145.3 28.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.129 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 11' ' ' PHE . . . -143.36 53.28 0.61 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.162 -1.018 . . . . 0.0 113.583 -176.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.41 -67.59 1.63 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.738 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -117.98 104.07 10.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.438 HD11 ' HA2' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -98.66 118.05 34.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.516 -174.459 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 139.14 30.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.479 -0.782 . . . . 0.0 108.931 172.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.64 158.79 39.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.512 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.487 ' HB2' ' H ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -81.25 -155.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.527 0.68 . . . . 0.0 111.76 -176.677 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.487 ' H ' ' HB2' ' A' ' 24' ' ' CYS . 12.3 t70 -100.35 -37.84 8.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.708 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.73 -20.48 18.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.798 -168.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.566 ' HB3' HH22 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -134.48 160.36 68.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.176 178.029 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.87 33.96 0.44 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.855 2.37 . . . . 0.0 111.434 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.535 ' OG ' ' HB2' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -68.76 100.24 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.224 -176.189 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.659 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -79.4 115.19 18.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.317 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.634 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 24.4 m-85 -132.62 171.09 14.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.587 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.47 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 23.4 m-70 -107.66 153.76 22.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 171.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.467 HG21 ' HA ' ' A' ' 43' ' ' VAL . 18.3 pt -67.17 -21.63 28.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -113.61 4.12 15.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 89.0 m -100.96 8.4 43.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.993 0.425 . . . . 0.0 111.833 -177.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 166.45 10.83 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.441 175.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.63 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -69.36 -54.72 10.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.208 174.546 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.63 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 2.5 Cg_endo -77.47 61.64 7.46 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.41 2.073 . . . . 0.0 110.515 172.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.45 152.69 44.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.72 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.635 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.6 mp -111.17 147.18 35.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.626 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -93.86 -0.39 55.77 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.869 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.85 167.53 21.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.514 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 15.0 p -90.18 119.57 69.24 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.351 0.596 . . . . 0.0 110.859 -178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.635 ' HG3' HD22 ' A' ' 40' ' ' LEU . 5.5 Cg_exo -77.73 108.85 2.63 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.966 2.444 . . . . 0.0 111.52 -177.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -105.78 9.02 33.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.056 0.455 . . . . 0.0 110.169 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.95 -91.06 2.1 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.171 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -123.86 142.66 50.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.598 0.237 . . . . 0.0 110.588 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -156.53 155.67 32.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.697 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -136.41 124.03 22.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.842 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.2 p -80.93 162.93 58.06 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.99 3.48 4.47 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.79 2.327 . . . . 0.0 111.899 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.72 HH11 ' HB3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.657 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.8 tpt . . . . . 0 C--O 1.233 0.186 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.79 83.12 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.597 ' HA ' HD21 ' A' ' 21' ' ' LEU . 1.5 p90 -174.98 164.03 3.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.779 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 6.7 m -66.02 114.88 5.52 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HD2' ' OH ' ' A' ' 31' ' ' TYR . 36.0 mtt180 -60.5 -24.94 65.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.622 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.68 -66.6 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 111.22 -178.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.55 8.14 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG2' ' HE2' ' A' ' 11' ' ' PHE . 14.4 mttm 39.7 43.98 1.21 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 169.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.779 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.2 p-10 -117.32 167.12 11.52 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.758 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -142.46 -165.58 10.62 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.755 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.01 -112.93 4.47 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.999 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.76 63.38 5.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.595 0.712 . . . . 0.0 109.771 176.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.758 HD22 ' HA2' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -85.92 132.25 34.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.965 -175.468 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tp -85.46 109.3 18.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 161.0 18.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.098 -171.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 9.1 t -70.18 -160.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.106 174.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.555 ' HB3' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -130.89 -31.67 1.71 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.183 175.377 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.63 -15.91 18.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.317 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 6.0 p -138.24 164.81 37.8 Favored Pre-proline 0 N--CA 1.453 -0.299 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 27' ' ' CYS . 95.3 Cg_endo -83.75 1.47 8.86 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.508 2.138 . . . . 0.0 113.121 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -66.94 135.77 54.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.906 0.384 . . . . 0.0 110.301 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.748 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -132.29 162.31 31.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.925 -178.088 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.694 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 79.7 m-85 -143.89 -174.41 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.102 0.477 . . . . 0.0 112.009 -171.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.766 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 47.6 m80 -79.81 -135.86 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 166.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.51 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 47.5 pt -129.28 16.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 121.889 -0.507 . . . . 0.0 109.938 167.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -148.93 12.75 0.87 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.157 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.766 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.3 m -72.78 -43.35 62.9 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.934 -0.478 . . . . 0.0 111.62 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.23 179.9 6.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.553 -173.221 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -54.78 32.15 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.936 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 11.4 Cg_exo -69.83 94.62 0.54 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.143 1.895 . . . . 0.0 111.171 175.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.5 132.27 42.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.571 -174.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' HG ' ' HG3' ' A' ' 44' ' ' PRO . 1.5 mm? -92.56 96.63 10.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.167 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -73.7 -14.68 61.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.991 0.424 . . . . 0.0 110.629 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.85 160.5 39.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.088 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -66.64 116.94 39.66 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.883 0.373 . . . . 0.0 110.619 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.584 ' HG3' ' HG ' ' A' ' 40' ' ' LEU . 72.2 Cg_endo -80.93 77.86 3.88 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.854 2.369 . . . . 0.0 112.622 -176.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.83 133.12 47.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.242 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.19 -131.4 7.2 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.882 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.58 105.42 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.73 0.3 . . . . 0.0 110.378 177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -112.19 141.88 45.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.907 0.385 . . . . 0.0 110.132 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.555 ' NE2' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -130.68 141.01 50.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.043 179.673 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.624 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 11.9 p -66.4 167.25 13.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.624 ' HD2' ' HB2' ' A' ' 50' ' ' CYS . 39.9 Cg_endo -67.5 -3.88 10.94 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.824 2.35 . . . . 0.0 113.149 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.379 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 177.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -94.35 34.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.12 0.485 . . . . 0.0 110.842 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.632 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 49.8 p90 -161.06 160.99 31.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.465 177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -81.9 126.45 31.92 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.34 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -59.25 -18.93 41.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -171.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 35' ' ' CYS . 84.3 t -78.54 -67.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -177.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 9.5 p -91.09 -3.84 56.79 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.575 -174.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 69.11 1.89 3.39 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.158 0.583 . . . . 0.0 112.232 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.726 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -80.12 142.47 34.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.481 0.182 . . . . 0.0 110.622 179.049 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.632 ' HA2' ' HA ' ' A' ' 11' ' ' PHE . . . -104.5 -131.96 7.31 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.488 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.14 -141.38 16.24 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.551 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -99.63 104.0 15.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.28 169.64 9.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.843 -172.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 tp -108.45 107.1 17.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.825 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.81 154.1 22.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.021 0.438 . . . . 0.0 112.017 -171.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 49' ' ' GLN . 52.2 t -64.84 162.47 16.17 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.426 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -103.54 -10.63 18.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.532 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.7 p -106.59 -39.53 5.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -115.43 151.74 46.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.109 176.55 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 6.2 Cg_exo -83.05 36.2 0.61 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.76 2.306 . . . . 0.0 112.47 -176.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.65 120.08 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.098 0.475 . . . . 0.0 111.521 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.508 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -86.02 121.69 29.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.914 177.085 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.649 ' CD1' HD23 ' A' ' 36' ' ' LEU . 1.5 m-85 -131.89 173.21 11.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.07 0.462 . . . . 0.0 111.517 -173.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.531 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 10.3 m80 -117.78 150.99 38.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 171.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.692 HD13 ' N ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -57.79 -26.04 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.329 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -110.14 -3.96 16.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.65 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 89.4 m -98.06 44.22 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.052 0.453 . . . . 0.0 111.511 -178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD23 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -158.19 179.53 9.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.136 177.247 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.646 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 2.3 ttp180 -61.75 -56.42 32.69 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.605 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.646 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 98.8 Cg_endo -82.52 72.05 6.21 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.058 1.838 . . . . 0.0 112.12 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.33 129.0 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.636 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.44 HD13 ' HG3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -118.72 -170.69 1.95 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.282 -178.447 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -126.72 52.5 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.575 0.226 . . . . 0.0 111.082 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.692 ' N ' HD13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER 61.02 48.53 6.42 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.431 0.634 . . . . 0.0 110.073 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.659 ' H ' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -101.29 -59.38 0.1 Allowed Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.998 -173.09 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.659 ' HD2' ' H ' ' A' ' 43' ' ' VAL . 44.4 Cg_endo -66.48 157.55 59.98 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.309 2.673 . . . . 0.0 112.13 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -173.76 123.91 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.74 -62.42 4.39 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.825 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.94 61.83 7.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.979 0.418 . . . . 0.0 110.342 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -139.19 160.46 39.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.549 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.458 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 12.0 pt20 -157.1 153.94 28.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.666 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.402 ' C ' ' H ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -53.95 158.0 3.8 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-O 121.092 0.472 . . . . 0.0 111.368 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -78.92 18.45 1.01 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.239 1.96 . . . . 0.0 110.982 172.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.206 -175.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 ttt . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.777 0.322 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.52 25.05 10.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.294 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.448 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 16.4 p90 -162.98 168.83 20.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.377 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.645 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 16.2 m -67.75 123.71 21.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.694 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 13' ' ' ARG . 2.1 ptp180 -63.31 -14.39 49.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.42 -68.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.583 0.706 . . . . 0.0 110.562 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.5 10.75 3.55 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -177.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 42.87 39.81 1.88 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 167.059 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.645 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.3 p-10 -115.3 169.33 9.22 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.707 0.289 . . . . 0.0 111.31 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.719 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -136.59 -142.21 4.41 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.529 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.06 -119.31 4.91 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.978 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.44 97.12 9.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.719 HD11 ' HA2' ' A' ' 18' ' ' GLY . 3.0 mt -106.47 141.86 37.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.289 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.535 ' HB3' ' O ' ' A' ' 32' ' ' HIS . 1.3 tp -86.85 106.08 17.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 m -106.42 133.51 51.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.716 -173.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.43 155.85 34.19 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.138 0.494 . . . . 0.0 112.301 -177.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.501 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 9.1 t70 -93.01 -12.19 31.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.997 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.73 -17.77 21.89 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.243 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.25 159.48 30.98 Favored Pre-proline 0 N--CA 1.448 -0.572 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.507 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -89.09 58.51 2.23 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.474 2.116 . . . . 0.0 113.278 -175.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -113.55 164.26 13.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.376 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -133.04 140.71 47.85 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.683 0.278 . . . . 0.0 110.95 -177.306 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.595 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 97.2 m-85 -141.88 -179.71 6.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -177.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.704 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 25.6 m80 -78.85 -120.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 168.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.524 HG21 ' HB ' ' A' ' 43' ' ' VAL . 50.9 pt -136.21 14.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.925 167.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -162.67 19.12 0.09 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -174.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -70.27 -23.66 62.92 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.257 0.551 . . . . 0.0 110.672 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.736 HD13 ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -91.38 -178.77 5.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.607 -178.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.677 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 2.6 mtm180 -60.01 -54.57 54.06 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.536 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 4.9 Cg_exo -77.25 90.32 1.25 Allowed 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.089 1.859 . . . . 0.0 111.427 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.25 133.21 45.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.84 139.25 41.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.936 0.398 . . . . 0.0 110.549 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -91.28 -30.67 16.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.98 125.23 53.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.502 175.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.524 ' HB ' HG21 ' A' ' 33' ' ' ILE . 2.1 p -64.38 119.29 55.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -175.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.79 60.76 7.96 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.033 2.489 . . . . 0.0 111.797 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.4 124.27 19.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.435 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.32 -142.66 10.22 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.273 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -85.5 56.16 3.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.372 0.606 . . . . 0.0 110.103 177.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.404 ' CZ2' ' HD3' ' A' ' 51' ' ' PRO . 45.2 t90 -68.65 134.02 49.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.167 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.55 140.22 37.82 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -61.72 121.26 63.41 Favored Pre-proline 0 N--CA 1.447 -0.582 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -177.241 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.736 ' HG2' HD13 ' A' ' 36' ' ' LEU . 74.0 Cg_endo -91.27 17.03 1.45 Allowed 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 123.18 2.587 . . . . 0.0 110.457 167.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -173.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.762 ' HB2' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.173 0.511 . . . . 0.0 112.096 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.54 24.74 7.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.693 174.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -161.04 162.42 31.7 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.82 -177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.752 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -75.33 114.07 13.43 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.706 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HB3' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -62.01 -13.71 28.44 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.297 -173.71 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.77 -41.22 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.491 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 11.5 p -125.67 -7.46 6.81 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.733 -176.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 70.53 24.4 4.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.316 0.646 . . . . 0.0 111.721 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.876 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 8.2 t0 -107.25 160.29 15.71 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.76 0.314 . . . . 0.0 111.356 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.11 -168.33 21.39 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.645 174.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.74 -118.08 3.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.767 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -77.97 85.86 4.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 84.6 mt -105.45 109.31 21.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.152 -172.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.532 HD11 ' HD2' ' A' ' 44' ' ' PRO . 6.3 mt -78.38 121.2 24.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.18 171.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.14 128.8 35.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.776 0.322 . . . . 0.0 111.159 -176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 27' ' ' CYS . 18.9 m -47.71 145.85 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.876 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -81.2 -43.27 19.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.309 0.576 . . . . 0.0 110.377 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -100.54 -27.99 13.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.537 -175.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.409 ' H ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -109.94 170.28 5.51 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.196 -172.277 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -96.48 13.79 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.638 2.225 . . . . 0.0 112.21 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.762 ' HA ' ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -87.65 167.81 13.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.302 0.572 . . . . 0.0 111.92 -175.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.752 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -128.47 150.86 49.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.049 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.58 ' HE1' ' HD3' ' A' ' 52' ' ' ARG . 37.2 m-85 -135.62 157.38 47.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.855 0.36 . . . . 0.0 111.634 -173.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.876 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 5.4 m80 -98.73 145.35 27.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.509 HD13 HG22 ' A' ' 43' ' ' VAL . 1.7 pt -68.78 -10.67 13.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 7.18 10.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.106 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.665 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 15.2 m -103.32 5.51 37.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 110.792 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.34 172.94 6.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.053 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.79 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -72.07 -57.74 3.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.165 176.075 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.79 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 6.9 Cg_endo -83.25 82.62 2.06 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.341 2.027 . . . . 0.0 110.8 173.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.01 147.73 52.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.663 -173.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mp -108.66 143.24 38.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.557 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -95.9 1.2 52.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 110.264 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.15 159.56 41.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.539 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.509 HG22 HD13 ' A' ' 33' ' ' ILE . 3.3 t -99.88 110.63 59.84 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.618 0.247 . . . . 0.0 110.909 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HD2' HD11 ' A' ' 22' ' ' LEU . 14.3 Cg_exo -68.14 177.3 4.55 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.826 2.35 . . . . 0.0 111.605 177.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.77 -159.99 0.54 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.589 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.48 33.93 2.27 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.939 176.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.2 61.69 1.36 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 22' ' ' LEU . 61.7 t90 -137.13 134.76 36.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.568 -174.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -109.37 129.61 55.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.293 0.568 . . . . 0.0 110.28 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.16 136.29 89.22 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.335 -173.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.89 11.3 3.37 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.034 2.489 . . . . 0.0 111.646 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HD3' ' HE1' ' A' ' 31' ' ' TYR . 3.5 ttt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.587 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.086 0.469 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.509 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -89.71 37.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.927 -178.524 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -160.85 168.15 25.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.719 ' HB2' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -83.63 120.43 25.96 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -57.79 -26.23 61.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.411 -172.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.0 t -66.3 -73.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 8.5 p -83.46 -7.24 59.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.617 0.246 . . . . 0.0 111.433 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm 72.36 0.94 3.77 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.526 0.73 . . . . 0.0 112.074 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.651 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 2.8 t0 -79.82 149.93 30.86 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.755 0.312 . . . . 0.0 110.966 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.541 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -110.4 -117.49 3.83 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.211 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.79 -132.96 18.35 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.618 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -91.99 121.11 33.26 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.541 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -128.96 166.14 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.562 -174.279 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 116.23 31.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.291 -1.004 . . . . 0.0 108.291 172.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 m -91.34 153.71 19.72 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.392 -172.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 63.9 m -51.93 159.35 0.87 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.93 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -96.05 -9.78 30.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.422 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -118.33 -64.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.031 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.599 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -80.41 167.14 35.18 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.507 -177.014 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -93.69 31.05 0.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 122.887 2.392 . . . . 0.0 112.198 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.8 167.82 10.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.082 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.676 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 3.4 m -124.28 146.63 48.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.855 177.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.719 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 25.4 m-85 -137.32 168.12 20.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.09 0.471 . . . . 0.0 112.024 -174.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.601 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 21.2 m80 -115.77 153.67 31.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 170.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 pt -71.5 -20.48 21.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -106.58 0.23 24.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 74.7 m -100.31 17.35 21.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.963 0.411 . . . . 0.0 111.858 -176.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.18 170.37 8.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.783 175.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -68.5 -57.13 8.94 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.269 175.062 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HD3' ' CB ' ' A' ' 37' ' ' ARG . 3.6 Cg_exo -76.05 63.74 6.88 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.4 2.067 . . . . 0.0 110.814 174.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.24 148.15 37.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.608 -174.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.4 mp -120.34 157.25 29.63 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.012 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.54 -10.0 20.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.481 . . . . 0.0 109.89 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -132.91 167.97 19.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.744 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 3.7 t -95.24 121.9 61.0 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.549 ' HB2' ' HB2' ' A' ' 48' ' ' TRP . 5.7 Cg_exo -79.84 73.92 5.79 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.201 2.601 . . . . 0.0 111.563 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.02 117.11 13.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.545 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.13 -89.02 0.5 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.994 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -88.04 105.53 17.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.906 0.384 . . . . 0.0 111.571 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.549 ' HB2' ' HB2' ' A' ' 44' ' ' PRO . 60.5 t90 -167.13 130.55 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.617 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.85 128.3 51.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.76 130.8 94.64 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.854 -175.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.91 37.82 0.52 Allowed 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.872 2.382 . . . . 0.0 111.985 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.566 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.52 ' SD ' ' HA ' ' A' ' 29' ' ' SER . 16.7 ptm . . . . . 0 C--O 1.233 0.219 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -92.57 37.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.481 0.658 . . . . 0.0 110.435 -178.288 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 5.0 p90 -162.85 164.32 26.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.231 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.616 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.36 156.21 16.61 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.76 -175.276 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -74.43 -39.73 62.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -173.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.735 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 39.0 t -83.28 -82.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.661 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -82.41 76.04 9.3 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 118.91 -0.566 . . . . 0.0 110.237 172.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.616 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 4.8 mttt -49.01 64.79 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.836 1.654 . . . . 0.0 113.422 -171.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.547 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 4.3 t70 -119.78 166.6 13.04 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.512 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.601 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -96.72 -116.99 3.38 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.68 -131.44 21.45 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.093 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.06 104.1 16.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.601 HD11 ' HA2' ' A' ' 18' ' ' GLY . 34.9 mt -109.66 113.77 26.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.666 -175.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.438 HD13 ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -76.74 120.68 22.24 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 169.456 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.65 144.62 31.21 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.919 -174.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 29' ' ' SER . 26.5 m -56.35 155.38 7.04 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.575 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' HB3' ' OE1' ' A' ' 49' ' ' GLN . 39.1 t70 -71.2 -77.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -100.78 19.49 17.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.262 0.553 . . . . 0.0 110.953 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.543 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 1.6 t -128.61 145.98 58.29 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 86.7 Cg_endo -91.19 52.22 0.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.677 2.251 . . . . 0.0 113.016 -171.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.645 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 1.2 m -131.15 162.99 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.849 0.357 . . . . 0.0 111.075 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.535 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 m -137.54 145.16 42.58 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.31 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.545 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 96.9 m-85 -137.91 179.37 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.249 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.727 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 53.9 m80 -99.32 -141.37 0.32 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 pt -123.58 12.62 5.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.299 171.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.56 23.08 1.97 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.564 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.735 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . 1.6 m -89.03 -57.61 2.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.186 0.517 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.565 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -80.08 161.04 25.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.818 -176.618 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -57.57 -51.11 84.16 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.427 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.565 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 73.7 Cg_endo -73.9 64.39 4.99 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.799 1.666 . . . . 0.0 110.989 174.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 158.43 14.18 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.624 -173.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.516 ' HG ' ' CG ' ' A' ' 44' ' ' PRO . 1.9 mm? -105.38 127.42 52.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.075 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -82.11 -24.41 35.17 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -134.09 151.48 51.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.018 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 3.2 t -72.61 120.54 81.23 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.769 0.318 . . . . 0.0 111.049 -177.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.516 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 13.0 Cg_exo -71.95 145.52 45.36 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.095 2.53 . . . . 0.0 112.05 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -150.48 129.76 12.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.346 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.16 -90.52 0.35 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 78.62 1.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.895 0.378 . . . . 0.0 110.451 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -106.02 112.38 25.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.725 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' OE1' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -101.88 135.16 43.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.286 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -76.06 143.61 74.18 Favored Pre-proline 0 C--N 1.318 -0.796 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -171.258 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 97.5 Cg_endo -100.24 26.28 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.167 0 C-N-CA 123.55 2.833 . . . . 0.0 111.616 176.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.113 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -83.24 -21.52 33.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.393 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -101.3 160.44 14.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.752 176.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.821 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -71.99 143.32 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.915 -177.31 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 -67.58 -51.1 54.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.724 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 2.4 t -68.42 -75.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.78 30.65 0.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.642 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 20.1 mtpt 22.38 58.88 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.789 1.236 . . . . 0.0 113.923 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.456 ' HB3' ' NE2' ' A' ' 32' ' ' HIS . 28.4 t70 -150.8 158.36 44.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.721 -176.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 21' ' ' LEU . . . -110.75 -132.79 6.23 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.12 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.8 -82.81 1.18 Allowed Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.543 ' O ' ' HA ' ' A' ' 32' ' ' HIS . 1.3 tp10 -84.03 89.54 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -110.85 97.16 6.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.976 -0.557 . . . . 0.0 112.296 -169.368 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.624 HD11 ' HD2' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -83.15 154.69 24.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.969 169.768 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.42 130.39 47.64 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.981 -178.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.25 147.07 8.23 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 123.764 0.665 . . . . 0.0 111.026 176.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 49' ' ' GLN . 36.9 t70 -64.96 -68.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.611 -177.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.8 t -114.27 0.16 14.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.446 0.641 . . . . 0.0 110.835 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 165.13 14.7 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.601 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -97.12 26.84 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.834 2.356 . . . . 0.0 112.582 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.27 175.53 5.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.318 0.58 . . . . 0.0 111.019 -177.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.821 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 2.6 m -128.34 158.28 38.68 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.637 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 14.2 m-85 -140.54 173.27 11.66 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.133 -174.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.796 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 47.1 m-70 -91.79 -152.82 0.31 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 168.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.448 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 20.8 pt -114.1 11.94 8.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 167.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.533 ' HA ' ' HB1' ' A' ' 39' ' ' ALA . 13.3 p-80 -150.33 24.45 0.81 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.688 -174.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.796 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 3.1 m -78.04 -30.01 49.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.098 0.475 . . . . 0.0 110.248 175.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.577 HD13 ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -99.91 172.83 6.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.196 -173.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.624 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 1.1 tpm_? -70.52 -53.06 10.3 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.993 177.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 4.5 Cg_exo -77.43 59.74 6.8 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.402 2.068 . . . . 0.0 111.136 175.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 34' ' ' HIS . . . -79.09 177.9 8.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.423 -175.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.587 HD13 ' HD3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -132.94 168.79 17.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.652 178.53 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.32 -14.95 15.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.296 0.57 . . . . 0.0 109.834 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -121.46 169.55 10.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.198 175.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.37 123.67 45.62 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-O 120.838 0.352 . . . . 0.0 110.219 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.624 ' HD2' HD11 ' A' ' 22' ' ' LEU . 18.3 Cg_endo -63.4 154.73 66.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.758 2.305 . . . . 0.0 112.089 -177.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -112.24 114.98 28.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.398 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.98 -114.69 4.1 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.56 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.73 149.78 25.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.855 0.36 . . . . 0.0 111.247 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -157.76 104.79 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.018 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.616 ' HA ' ' HB2' ' A' ' 25' ' ' ASP . 1.8 tm0? -86.47 110.42 19.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.9 112.55 6.96 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.674 -174.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.577 ' HG2' HD13 ' A' ' 36' ' ' LEU . 65.4 Cg_endo -76.98 52.43 3.79 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.717 2.278 . . . . 0.0 112.269 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.599 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.073 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.653 ' HB3' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.828 0.347 . . . . 0.0 111.199 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.09 40.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.351 0.596 . . . . 0.0 110.021 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 21.8 p90 -157.99 165.67 34.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.365 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' A' ' 30' ' ' SER . 57.0 m -64.26 140.53 58.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.831 0.348 . . . . 0.0 111.459 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -24.97 59.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.217 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -104.38 -67.06 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.417 0.627 . . . . 0.0 110.848 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -77.79 -0.9 28.86 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 3.5 mttt 45.69 25.89 0.3 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 169.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' OD1' ' SG ' ' A' ' 12' ' ' CYS . 7.5 p-10 -93.77 159.69 15.09 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.762 0.315 . . . . 0.0 110.547 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.441 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -124.87 35.91 3.0 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.025 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.96 -115.03 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.875 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.8 105.64 3.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 175.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.65 ' HG ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -106.38 105.39 15.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.373 0.606 . . . . 0.0 112.141 -170.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.509 HD22 HG22 ' A' ' 33' ' ' ILE . 5.7 tp -101.13 115.87 31.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.71 173.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 29' ' ' SER . 1.7 m -112.46 149.87 32.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.08 -169.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.87 167.54 21.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.392 175.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -95.52 -23.92 16.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 0.0 110.676 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -81.22 -36.76 29.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.29 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 149.17 47.16 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.052 -175.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.82 35.49 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.975 2.45 . . . . 0.0 112.565 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.653 ' HA ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -104.38 164.15 11.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.5 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.65 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 1.1 m -133.61 152.55 51.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.384 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 80.9 m-85 -141.59 -176.77 4.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.437 . . . . 0.0 111.624 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.789 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 22.0 m80 -82.6 -144.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 165.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.509 HG22 HD22 ' A' ' 22' ' ' LEU . 7.3 pt -117.47 12.74 7.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.567 165.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.453 ' ND1' HG13 ' A' ' 33' ' ' ILE . 22.1 p-80 -157.39 24.33 0.29 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -173.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.789 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -71.79 -43.84 65.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.124 0.488 . . . . 0.0 111.126 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.515 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -82.81 169.07 16.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.787 -176.792 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.668 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 16.4 tpt180 -52.13 -53.11 55.72 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.196 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.668 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 6.6 Cg_exo -74.55 68.79 5.3 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.349 2.033 . . . . 0.0 111.634 178.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.74 141.2 55.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.524 -176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -97.01 155.38 16.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.248 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.76 15.7 21.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.483 0.658 . . . . 0.0 109.624 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -153.07 165.32 35.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.168 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.7 t -95.6 110.29 50.29 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.497 0.189 . . . . 0.0 110.549 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.75 93.96 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.003 2.469 . . . . 0.0 111.807 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -90.58 104.58 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.671 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 147.28 -77.43 0.25 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.6 111.44 7.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.948 0.404 . . . . 0.0 110.769 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -124.93 143.61 50.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.979 0.419 . . . . 0.0 110.815 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 50' ' ' CYS . 7.2 tp60 -139.66 133.14 30.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.786 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 49' ' ' GLN . 29.5 p -70.71 168.13 22.45 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.074 178.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.436 ' HD3' HD13 ' A' ' 36' ' ' LEU . 19.6 Cg_exo -59.92 -48.39 12.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.844 1.696 . . . . 0.0 110.171 172.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 114.237 -1.347 . . . . 0.0 108.193 173.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttm . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -101.97 25.89 8.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.134 0.492 . . . . 0.0 110.314 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' HA ' HD21 ' A' ' 21' ' ' LEU . 44.8 p90 -164.79 155.18 14.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.585 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.97 118.6 20.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.539 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' H ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -62.11 -17.6 58.24 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -172.718 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.418 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 88.0 t -67.79 -45.28 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.724 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 11.3 p -123.93 -0.92 8.4 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 72.67 -4.03 2.21 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.309 0.643 . . . . 0.0 112.177 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.724 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -84.32 147.57 27.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.582 0.229 . . . . 0.0 110.875 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.76 -151.54 14.96 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.704 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.31 -112.55 4.03 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.121 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.68 84.0 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.725 ' HG ' ' HB2' ' A' ' 30' ' ' SER . 0.0 OUTLIER -97.43 104.06 16.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.712 -173.122 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD13 ' HD2' ' A' ' 44' ' ' PRO . 4.1 tp -81.87 113.83 20.07 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.94 149.29 30.86 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.341 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -61.67 160.65 11.21 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 178.676 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.76 -78.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 111.561 -175.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 t -93.93 6.08 49.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.429 0.633 . . . . 0.0 110.568 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 4.8 t -111.9 135.23 21.23 Favored Pre-proline 0 N--CA 1.445 -0.681 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 90.2 Cg_endo -91.44 55.78 0.93 Allowed 'Trans proline' 0 C--N 1.329 -0.469 0 C-N-CA 123.303 2.669 . . . . 0.0 113.288 -169.567 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -128.28 127.07 42.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.123 0.487 . . . . 0.0 111.479 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.725 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -97.21 137.56 36.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.888 -177.866 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.651 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 51.1 m-85 -137.2 175.47 9.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.044 0.45 . . . . 0.0 111.107 -177.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.62 ' HB2' ' HB2' ' A' ' 35' ' ' CYS . 37.8 m-70 -109.21 142.35 40.16 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 168.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.7 pt -58.13 -30.62 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.193 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -97.89 -0.27 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.62 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 15.5 m -94.63 -21.45 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.003 0.43 . . . . 0.0 110.621 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.11 155.76 38.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.186 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -55.96 -57.09 24.0 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.116 -179.428 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 40.6 Cg_endo -84.73 74.42 4.05 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 121.943 1.762 . . . . 0.0 110.676 173.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.8 128.69 18.73 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.204 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.546 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -99.93 137.9 37.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.125 179.252 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -86.95 -19.71 28.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.98 0.419 . . . . 0.0 110.523 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.46 150.61 50.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.851 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -71.74 120.13 78.23 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.448 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.546 ' HG3' HD22 ' A' ' 40' ' ' LEU . 52.6 Cg_exo -55.24 147.33 55.86 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.219 2.613 . . . . 0.0 112.941 -176.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.35 138.01 47.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.122 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.92 -108.82 2.61 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.593 173.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 133.19 37.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.569 0.223 . . . . 0.0 111.038 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.472 ' HE3' ' HA ' ' A' ' 24' ' ' CYS . 42.9 t90 -163.47 125.94 2.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.207 0.527 . . . . 0.0 110.769 174.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -132.43 151.95 51.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.174 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 145.34 96.95 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-O 121.161 0.505 . . . . 0.0 112.258 -172.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.79 -25.71 7.5 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.691 2.261 . . . . 0.0 112.203 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.532 179.263 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.5 mtm . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.133 0.492 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.34 41.21 0.52 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.449 0.642 . . . . 0.0 110.351 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -152.79 167.1 30.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.791 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -71.08 117.21 12.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.686 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.606 ' NH2' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -83.29 20.7 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.401 0.62 . . . . 0.0 109.387 170.79 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.415 ' H ' ' C ' ' A' ' 12' ' ' CYS . 2.2 t -119.09 -53.13 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.669 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 7.3 p -113.16 -0.12 14.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.524 -176.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.61 12.39 8.67 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.364 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.651 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 8.1 t70 -79.59 137.71 37.22 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.918 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.516 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -126.27 28.26 4.85 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.304 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.71 -96.41 0.76 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -110.87 113.59 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.516 HD11 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -138.03 176.42 8.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.062 0.458 . . . . 0.0 110.835 -175.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.68 130.83 51.18 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -89.31 169.12 11.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.751 -171.192 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 17.9 t -76.87 -178.81 5.07 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.588 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.13 -11.92 12.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.582 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 -19.97 4.62 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.218 -174.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 18.7 p -128.97 155.19 80.07 Favored Pre-proline 0 C--N 1.328 -0.365 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.231 173.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -81.8 56.44 5.9 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.626 2.217 . . . . 0.0 112.262 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.74 155.24 41.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.843 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.598 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.8 m -122.7 145.48 48.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -129.25 171.91 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.09 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.57 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 8.4 m80 -101.65 165.69 11.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 163.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.465 HG21 HG22 ' A' ' 43' ' ' VAL . 11.4 pt -76.68 -10.8 13.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 118.595 0.634 . . . . 0.0 110.434 178.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.57 12.39 16.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.842 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 9.2 m -110.46 32.11 5.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.526 -178.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.87 156.43 48.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.513 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -54.76 -58.48 14.18 Favored Pre-proline 0 CA--C 1.535 0.391 0 O-C-N 123.262 0.351 . . . . 0.0 111.531 -177.196 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 83.3 Cg_endo -84.52 65.1 6.72 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.009 1.806 . . . . 0.0 111.229 175.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.5 137.4 6.68 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.015 -174.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.67 156.73 24.92 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.4 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -98.05 -9.59 25.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.238 0.542 . . . . 0.0 109.957 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.02 171.89 14.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.753 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.465 HG22 HG21 ' A' ' 33' ' ' ILE . 43.6 t -86.75 119.18 71.1 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.258 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -58.02 104.12 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.878 2.386 . . . . 0.0 112.459 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -82.07 86.26 6.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.093 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.84 -144.98 15.78 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.971 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.43 128.54 33.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.716 0.293 . . . . 0.0 110.349 -178.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -131.71 148.88 52.62 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -126.01 135.01 51.3 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 3.1 p -67.86 153.57 94.99 Favored Pre-proline 0 C--O 1.238 0.464 0 CA-C-O 121.224 0.535 . . . . 0.0 111.043 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 6.1 Cg_exo -79.85 10.88 2.95 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.109 2.539 . . . . 0.0 111.874 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.606 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 7.0 mmt-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.993 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.3 40.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.923 0.392 . . . . 0.0 111.34 -176.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 17' ' ' ASP . 45.7 p90 -168.81 154.93 6.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.285 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 30' ' ' SER . 76.9 m -61.18 146.35 47.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.265 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 28.0 mtt-85 -72.19 -17.62 61.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 174.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -109.53 -74.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.12 0.486 . . . . 0.0 110.669 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.58 12.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' N ' ' HB2' ' A' ' 12' ' ' CYS . 0.7 OUTLIER 40.81 32.14 0.15 Allowed 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 166.027 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 11' ' ' PHE . 7.1 p-10 -118.36 162.63 17.99 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.499 -174.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.684 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -124.55 -163.08 11.59 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.728 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.17 -108.82 2.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.705 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.03 68.81 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.684 HD22 ' HA2' ' A' ' 18' ' ' GLY . 1.2 tp -93.7 127.71 39.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.48 -171.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.407 HD13 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -96.75 116.77 29.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.119 175.333 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 6.7 m -100.36 156.29 17.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.061 -176.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.983 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 29.9 t -60.53 178.07 0.24 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.784 0.802 . . . . 0.0 111.983 178.014 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.451 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 3.1 t70 -110.01 -4.48 15.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.417 173.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -130.81 -52.53 1.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.09 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -87.07 163.72 39.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.622 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -89.18 9.33 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.29 1.994 . . . . 0.0 112.581 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.69 151.08 39.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.722 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -136.56 150.68 48.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.617 177.41 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 97.4 m-85 -142.4 -175.89 4.63 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.755 -174.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.816 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 14.0 m-70 -77.38 -134.87 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 166.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.524 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 5.8 pt -122.59 8.94 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.796 167.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -154.61 16.61 0.45 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -172.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.816 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.5 m -67.27 -48.65 67.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.353 0.597 . . . . 0.0 110.843 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.575 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -65.16 167.88 7.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.889 -176.09 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -53.51 64.96 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.437 178.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.575 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 3.1 Cg_exo -78.33 65.79 8.46 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.277 1.984 . . . . 0.0 110.971 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.92 147.03 52.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.783 -174.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.598 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.3 mp -92.55 146.13 23.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.605 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -107.35 -1.63 21.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.675 0.75 . . . . 0.0 109.189 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.68 151.17 48.46 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.647 175.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 21.8 t -81.96 116.25 62.24 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.335 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.598 ' HG3' HD22 ' A' ' 40' ' ' LEU . 8.0 Cg_exo -76.06 107.73 2.53 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.925 2.417 . . . . 0.0 112.194 -175.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.02 138.96 31.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.586 177.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.62 -133.72 11.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.074 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.32 160.1 21.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.562 0.22 . . . . 0.0 110.693 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -162.42 161.06 27.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.968 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.983 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 10.6 pt20 -164.58 151.87 11.53 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.125 178.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.51 ' HB2' ' H ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -60.76 171.0 1.17 Allowed Pre-proline 0 CA--C 1.535 0.403 0 CA-C-O 121.2 0.524 . . . . 0.0 112.197 -176.746 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.553 ' HG3' HD13 ' A' ' 36' ' ' LEU . 66.4 Cg_endo -92.57 6.39 3.2 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.719 2.28 . . . . 0.0 110.4 172.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.51 ' H ' ' HB2' ' A' ' 50' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.619 -173.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.5 mtt . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.54 2.72 55.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.692 0.758 . . . . 0.0 109.364 175.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.918 ' HA ' ' HA3' ' A' ' 18' ' ' GLY . 14.3 p90 -125.93 170.92 11.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.746 -1.116 . . . . 0.0 108.867 174.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.653 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 2.3 m -72.49 126.69 30.47 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.171 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -65.83 -15.08 62.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.33 173.736 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.0 t -102.73 -69.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.603 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -79.62 -11.78 59.86 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -173.295 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 3.6 mmtt 75.48 -4.71 2.32 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.361 0.665 . . . . 0.0 112.094 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.761 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 2.0 m-20 -91.7 136.03 33.44 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.918 ' HA3' ' HA ' ' A' ' 11' ' ' PHE . . . -154.89 -145.2 4.11 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.91 -112.89 3.59 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.573 -177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -105.49 80.9 1.62 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.475 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.6 pt? -134.98 -175.91 4.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.07 -173.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 146.39 51.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 0.8 OUTLIER -155.47 148.61 24.67 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.271 -0.268 . . . . 0.0 110.703 -176.123 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -60.63 134.59 57.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.806 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.54 -30.31 16.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.262 0.553 . . . . 0.0 110.489 -176.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -107.18 9.29 30.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.729 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.16 144.21 25.21 Favored Pre-proline 0 N--CA 1.446 -0.669 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.971 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -87.2 72.98 3.02 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.22 1.947 . . . . 0.0 113.747 -171.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.623 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 75.3 m -152.87 172.95 15.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.082 177.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB3' HD21 ' A' ' 21' ' ' LEU . 15.9 m -134.26 145.26 48.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.308 175.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.653 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 28.6 m-85 -145.81 169.81 17.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 112.209 -175.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.898 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 89.8 m-70 -116.64 175.68 5.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 168.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 pt -80.93 62.66 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.321 0.581 . . . . 0.0 110.469 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.65 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.47 -175.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.898 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -79.47 41.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.446 -171.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD12 ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -156.38 161.1 40.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 172.773 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -61.26 -58.31 19.73 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.532 -175.15 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.562 ' HG2' ' HB3' ' A' ' 51' ' ' PRO . 1.7 Cg_endo -81.2 58.15 6.82 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.351 2.034 . . . . 0.0 111.349 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 140.04 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.302 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.13 166.97 10.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.098 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -99.28 -24.83 14.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.249 0.547 . . . . 0.0 109.722 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.92 135.07 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.488 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.2 t -75.67 125.05 88.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.011 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' VAL . 7.1 Cg_exo -74.96 173.68 14.09 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.063 2.509 . . . . 0.0 112.318 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -80.68 -177.63 6.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.94 -40.37 97.15 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.916 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.88 84.77 2.82 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -130.42 143.72 50.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.943 -173.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -120.18 124.63 46.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.494 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 4.5 p -65.25 166.74 12.2 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.441 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.562 ' HB3' ' HG2' ' A' ' 38' ' ' PRO . 9.9 Cg_endo -51.39 -51.17 11.76 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.116 1.877 . . . . 0.0 110.0 172.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.527 ' HA ' ' HD2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.298 169.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.713 0.292 . . . . 0.0 111.665 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.98 -33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.543 -179.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.542 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 4.5 p90 -120.79 162.69 19.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -174.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.725 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 13.3 m -62.74 145.35 55.01 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.207 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HD3' ' OH ' ' A' ' 31' ' ' TYR . 1.7 mtp180 -70.13 -23.3 62.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.683 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 1.3 t -112.37 -65.05 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.24 0.543 . . . . 0.0 110.85 -178.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.72 6.0 9.93 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 11.3 mmtt 41.66 31.51 0.2 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 168.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.514 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 5.8 p-10 -98.42 153.28 18.69 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 122.336 -0.227 . . . . 0.0 110.495 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.36 -173.69 13.23 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.839 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.33 -110.25 3.82 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.156 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -81.48 68.6 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.132 0.491 . . . . 0.0 110.747 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 30' ' ' SER . 0.5 OUTLIER -132.27 164.42 26.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.162 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.03 146.09 28.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.995 0.426 . . . . 0.0 111.657 -173.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.38 150.09 42.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.53 175.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.697 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 13.3 t -58.98 161.9 4.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.456 0.646 . . . . 0.0 111.372 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.39 -35.93 58.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.308 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -102.13 -39.26 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.57 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.83 ' HB3' HH12 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -108.58 164.39 14.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.548 -174.483 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -89.74 4.17 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.414 2.076 . . . . 0.0 112.841 -176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.57 121.29 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.436 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.595 ' HB2' HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -111.3 136.72 50.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.198 -175.061 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.725 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 78.3 m-85 -143.97 -175.91 4.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.216 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.799 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 31.2 m80 -79.41 -114.15 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 168.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pt -133.8 9.73 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.816 170.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -155.77 18.9 0.39 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.799 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -87.16 -0.03 56.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.118 0.485 . . . . 0.0 110.925 -176.065 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.834 HD12 ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -117.45 -175.86 2.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.421 -176.83 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.913 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 1.8 mtm180 -58.05 -61.98 6.38 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.344 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.913 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 2.2 Cg_endo -79.96 95.47 1.02 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.221 1.947 . . . . 0.0 111.585 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.78 143.7 30.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.35 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -100.27 165.5 11.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.391 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -90.25 -40.81 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.229 0.538 . . . . 0.0 109.788 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -130.7 173.26 11.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.042 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.78 125.22 84.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -54.19 142.38 67.37 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.994 2.462 . . . . 0.0 112.871 -175.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.72 -38.35 6.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.079 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.77 -97.17 1.1 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.385 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -116.05 166.86 11.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.097 0.475 . . . . 0.0 111.293 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.413 ' HH2' ' HD2' ' A' ' 31' ' ' TYR . 65.3 t90 -159.25 137.16 10.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.789 176.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -137.74 143.19 41.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 -179.402 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 1.3 p -71.91 167.42 31.49 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.293 178.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -87.43 5.6 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.398 2.065 . . . . 0.0 112.357 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.83 HH12 ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.467 -175.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 mtm . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -77.07 5.11 8.72 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.03 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.536 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 3.0 p90 -137.2 162.02 34.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.072 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.724 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 7.6 m -64.5 131.33 46.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.537 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -60.09 -29.57 68.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.682 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.07 -66.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.503 0.668 . . . . 0.0 111.152 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.24 4.68 12.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -177.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER 50.0 16.88 0.26 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 166.333 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.479 ' OD1' ' SG ' ' A' ' 12' ' ' CYS . 6.8 p-10 -83.16 155.31 23.84 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 122.119 -0.363 . . . . 0.0 110.252 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.553 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -134.84 -165.0 10.69 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.288 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.33 -112.35 4.2 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.748 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -97.31 104.63 16.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.553 HD11 ' HA2' ' A' ' 18' ' ' GLY . 1.7 mp -122.16 174.09 7.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.145 0.498 . . . . 0.0 111.47 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 44' ' ' PRO . 14.6 tp -102.09 104.41 15.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.708 171.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 163.68 12.29 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.181 -171.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.842 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 33.7 t -69.01 -176.67 0.9 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.28 0.562 . . . . 0.0 110.559 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 12.9 t70 -108.91 -41.01 4.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.228 176.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -92.18 -26.71 18.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.406 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -119.71 155.82 54.36 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.503 -179.351 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -86.61 26.08 0.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.97 2.447 . . . . 0.0 112.52 -175.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.47 129.86 34.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.494 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 7.1 m -118.77 140.07 50.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 111.441 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.724 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 97.5 m-85 -141.64 -174.48 4.07 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.129 -177.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.757 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 39.1 m80 -82.24 -122.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 168.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.459 HG21 HG22 ' A' ' 43' ' ' VAL . 4.0 pt -134.09 14.14 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.07 169.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -153.99 14.77 0.47 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -172.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.757 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.2 m -78.82 -25.58 44.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.161 0.505 . . . . 0.0 110.493 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.529 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -95.51 178.93 5.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.615 -178.285 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.743 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 15.3 ttt180 -63.53 -54.39 43.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.388 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 3.2 Cg_exo -75.45 69.87 5.76 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.292 1.995 . . . . 0.0 111.553 177.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.96 144.56 54.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.652 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.24 164.77 12.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.368 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -93.5 -22.22 18.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.002 0.43 . . . . 0.0 110.236 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.8 172.74 12.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.913 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG22 HG21 ' A' ' 33' ' ' ILE . 10.3 t -77.78 119.49 77.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.195 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HG2' HD11 ' A' ' 22' ' ' LEU . 13.3 Cg_endo -57.06 147.08 77.34 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.926 2.417 . . . . 0.0 112.095 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -83.45 82.28 8.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.198 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.55 -63.17 3.06 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.248 -0.501 . . . . 0.0 113.306 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -66.16 110.25 2.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.935 0.398 . . . . 0.0 111.286 -177.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -174.73 146.59 0.97 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.007 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HG2' ' SG ' ' A' ' 24' ' ' CYS . 5.2 mt-30 -141.42 147.37 37.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.949 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.842 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 1.8 p -67.65 156.31 89.23 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.988 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.529 ' HG3' ' HB3' ' A' ' 36' ' ' LEU . 98.6 Cg_endo -81.18 23.19 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.509 2.139 . . . . 0.0 113.126 -176.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 52' ' ' ARG . 5.6 mtm180 . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.456 ' SD ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 120.835 0.35 . . . . 0.0 111.832 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.73 -21.74 25.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' SER . 5.3 p90 -116.57 -172.56 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.743 172.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -91.09 157.79 17.03 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.017 -177.843 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' HE3' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -70.36 -54.44 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.205 -175.55 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 18.1 t -77.76 -69.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.637 0.256 . . . . 0.0 111.573 -174.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -94.7 69.23 3.42 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.238 176.768 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.515 ' HE3' ' O ' ' A' ' 13' ' ' ARG . 1.5 mptt -37.38 75.72 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.35 1.86 . . . . 0.0 113.464 -174.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 t0 -155.43 177.2 11.63 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.192 -175.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.1 148.19 11.91 Favored Glycine 0 N--CA 1.448 -0.545 0 O-C-N 123.672 0.608 . . . . 0.0 112.688 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.76 -57.01 1.56 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 175.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.54 115.66 24.46 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 171.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' CB ' ' HB3' ' A' ' 30' ' ' SER . 1.7 mm? -103.29 -177.05 3.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.504 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -112.96 139.82 48.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 177.819 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 29' ' ' SER . 62.6 m -110.9 150.52 29.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.54 -169.53 1.05 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.542 0.687 . . . . 0.0 111.786 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -94.59 -8.62 37.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.665 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 p -118.22 -49.33 2.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.989 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.477 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -109.74 161.18 25.18 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.714 -172.393 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -86.05 24.01 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.059 2.506 . . . . 0.0 112.055 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.539 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -75.02 152.72 38.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.361 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 46.6 m -128.2 137.08 51.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.974 0.416 . . . . 0.0 110.448 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -132.48 169.79 16.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.727 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.768 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 30.4 m80 -86.4 -132.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 169.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.409 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 5.0 pt -127.73 7.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.759 0.314 . . . . 0.0 110.517 171.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -143.43 8.84 1.59 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.768 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.5 m -71.47 -33.56 69.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.39 0.614 . . . . 0.0 110.124 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.493 ' HG ' ' H ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -86.22 169.36 13.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.288 178.215 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -51.2 41.43 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.551 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 2.7 Cg_exo -76.23 72.22 5.47 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.27 1.98 . . . . 0.0 111.517 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.34 134.96 57.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 HD13 ' HG3' ' A' ' 44' ' ' PRO . 1.4 mp -92.54 154.53 18.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.307 -178.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -81.8 -38.72 25.12 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.98 158.86 28.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.74 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.22 127.16 90.63 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.398 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HG3' HD13 ' A' ' 40' ' ' LEU . 51.5 Cg_endo -78.02 63.29 8.16 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.69 2.26 . . . . 0.0 111.623 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -77.32 113.31 14.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.713 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 124.38 -117.54 3.11 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.927 -0.578 . . . . 0.0 112.039 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.76 123.06 27.9 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 122.287 0.235 . . . . 0.0 110.472 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -171.49 131.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.558 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.78 148.02 43.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -71.48 133.5 84.96 Favored Pre-proline 0 C--N 1.319 -0.727 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -170.729 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 96.4 Cg_endo -86.67 12.18 3.07 Favored 'Trans proline' 0 N--CA 1.446 -1.322 0 C-N-CA 122.963 2.442 . . . . 0.0 110.297 167.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 52' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.858 -175.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.791 0.329 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.48 40.93 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.266 0.555 . . . . 0.0 110.536 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.808 ' HA ' HD21 ' A' ' 21' ' ' LEU . 37.2 p90 -166.04 167.54 16.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.853 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.581 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 62.3 m -62.69 138.55 58.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.061 0.458 . . . . 0.0 111.691 -176.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -68.3 -31.7 71.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.067 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 t -99.37 -67.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.317 0.58 . . . . 0.0 110.875 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.97 7.68 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 4.1 mttm 38.13 36.12 0.1 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 168.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.581 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.3 p-10 -113.46 173.16 6.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.642 0.258 . . . . 0.0 111.646 -173.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.771 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -135.26 -161.31 9.31 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.638 177.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.41 -105.59 3.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.849 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.82 70.93 5.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 11' ' ' PHE . 1.8 tp -109.95 142.58 41.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.151 -172.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.577 HD13 ' HG2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -112.5 136.25 52.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.987 176.646 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.18 141.21 52.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.943 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.853 ' HB3' ' HA ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -68.42 168.74 12.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.507 0.67 . . . . 0.0 111.718 -177.355 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -90.55 -10.5 43.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.684 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.23 -36.96 6.4 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.925 -169.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.57 157.21 74.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.052 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.13 59.85 5.45 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.608 2.205 . . . . 0.0 112.913 -174.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -119.56 167.1 12.32 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 16.4 m -146.83 150.47 35.35 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -176.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.87 ' HD1' ' HB2' ' A' ' 35' ' ' CYS . 93.5 m-85 -146.41 -178.29 6.08 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.872 -178.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.81 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 22.8 m80 -79.07 -116.77 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 166.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.446 HG22 ' HD2' ' A' ' 44' ' ' PRO . 16.1 pt -137.06 15.5 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.968 169.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -161.59 24.03 0.12 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -173.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.87 ' HB2' ' HD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -89.78 -19.96 24.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.702 0.763 . . . . 0.0 109.943 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.05 -142.27 0.3 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.619 -175.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.553 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -59.26 176.12 0.31 Allowed Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 123.316 0.646 . . . . 0.0 110.634 176.702 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 37' ' ' ARG . 61.9 Cg_exo -19.86 108.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.535 1 C-N-CA 125.318 4.012 . . . . 0.0 114.739 -179.095 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.79 138.79 4.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.409 -1.269 . . . . 0.0 112.947 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.45 130.22 34.96 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.62 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.33 -19.87 52.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.966 0.412 . . . . 0.0 110.632 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -127.74 151.92 48.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.231 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.04 120.83 70.26 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.577 ' HG2' HD13 ' A' ' 22' ' ' LEU . 9.4 Cg_endo -60.3 131.35 38.17 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.495 2.13 . . . . 0.0 112.332 -175.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -125.11 132.3 53.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.147 -178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.38 -153.91 16.91 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.745 -176.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.81 90.39 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.988 0.423 . . . . 0.0 110.712 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.488 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 79.5 t90 -97.93 148.82 23.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.521 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.853 ' HA ' ' HB3' ' A' ' 24' ' ' CYS . 21.3 mt-30 -137.97 137.5 38.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.545 0.212 . . . . 0.0 110.537 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -81.76 167.4 31.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.37 178.708 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -80.86 14.19 2.13 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.463 2.109 . . . . 0.0 112.525 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 4.1 mmt180 . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.951 -0.459 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.74 -74.3 0.02 OUTLIER 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.859 2.372 . . . . 0.0 112.641 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.17 73.3 10.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.037 0.446 . . . . 0.0 110.357 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.81 -136.38 24.27 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.394 -175.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -97.55 -7.49 31.18 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 176.516 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 5' ' ' SER . 18.3 t70 70.75 -58.38 0.56 Allowed 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.892 0.745 . . . . 0.0 110.675 -176.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 53' ' ' CYS . 1.2 t60 -81.69 64.53 6.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.418 0.628 . . . . 0.0 110.746 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -173.6 104.55 0.12 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.96 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.473 ' SD ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -157.35 137.65 12.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.195 0.521 . . . . 0.0 111.008 -176.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -90.46 27.6 1.67 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.065 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -150.15 174.32 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.285 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.791 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 1.7 m -69.68 131.09 44.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.053 -176.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HG2' ' SD ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -56.34 -42.19 77.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.224 178.471 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.34 -55.49 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.581 0.705 . . . . 0.0 111.747 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 24.1 3.74 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.565 -1.198 . . . . 0.0 114.232 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm 30.89 65.4 0.16 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.023 -0.989 . . . . 0.0 113.018 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.469 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -77.69 -170.03 1.7 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.113 -177.1 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.89 -35.86 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.228 -0.987 . . . . 0.0 113.282 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.69 -97.37 1.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.906 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.34 126.37 29.56 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.434 ' HG ' ' CB ' ' A' ' 30' ' ' SER . 0.2 OUTLIER -141.39 140.77 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.063 0.459 . . . . 0.0 111.603 -176.082 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.1 tp -118.49 115.87 25.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -113.24 163.74 14.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.468 -172.058 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -175.78 2.31 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.09 0.471 . . . . 0.0 111.161 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -114.57 19.93 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.483 0.659 . . . . 0.0 109.484 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -131.92 -55.38 0.99 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.054 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 162.72 19.6 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.793 -176.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -92.08 57.47 0.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 122.775 2.317 . . . . 0.0 112.964 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -124.29 149.09 46.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.187 176.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.655 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.8 m -124.93 144.36 50.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.848 -177.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.791 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 95.0 m-85 -137.72 -177.16 4.68 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.983 0.42 . . . . 0.0 111.174 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.691 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 43.8 m80 -83.55 -122.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 169.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.436 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 48.3 pt -132.22 8.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.518 168.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -153.33 22.89 0.55 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.691 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -75.92 -20.68 57.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.519 0.676 . . . . 0.0 111.056 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.72 HD13 ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -100.29 172.48 7.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.183 -178.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.843 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -61.56 -51.25 78.25 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.428 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 7.3 Cg_exo -71.93 68.78 3.09 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.208 1.939 . . . . 0.0 110.819 175.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.6 148.89 30.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.986 -171.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mp -117.44 151.24 37.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.54 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -107.42 -7.53 16.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.686 0.755 . . . . 0.0 109.051 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -105.52 151.35 24.4 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.712 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.89 117.52 68.87 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -70.56 98.17 0.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.632 2.221 . . . . 0.0 111.385 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -19.2 60.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.539 -174.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.94 -95.88 1.97 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.619 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -112.36 165.32 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.84 0.352 . . . . 0.0 110.803 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' HH2' ' CD2' ' A' ' 31' ' ' TYR . 90.1 t90 -170.88 138.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.658 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.69 162.9 33.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.342 0.591 . . . . 0.0 111.366 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.659 ' HB2' ' H ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -70.94 163.79 62.03 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.161 -178.618 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.72 ' HD3' HD13 ' A' ' 36' ' ' LEU . 51.7 Cg_endo -67.02 -46.4 3.19 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 121.815 1.676 . . . . 0.0 110.104 171.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.698 ' HB3' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -167.16 19.64 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.456 173.003 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.659 ' H ' ' HB2' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 49.29 39.33 15.69 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.57 -174.411 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.698 HG22 ' HB3' ' A' ' 52' ' ' ARG . 10.0 t -163.11 -160.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.509 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 117.91 19.62 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 120.601 0.239 . . . . 0.0 110.498 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.843 ' HB2' ' HB2' ' A' ' 37' ' ' ARG . 74.3 Cg_endo -80.7 47.99 2.74 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.568 2.179 . . . . 0.0 113.375 -173.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.85 -19.55 19.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.016 0.436 . . . . 0.0 110.313 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.43 172.49 9.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.448 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -84.98 112.74 20.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.368 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.23 -32.98 11.1 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.618 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.604 -0.712 . . . . 0.0 110.353 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 112.186 -0.366 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.69 -61.53 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.847 2.365 . . . . 0.0 112.175 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.1 mt -124.27 155.43 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.898 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.81 -1.52 41.75 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.901 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -17.09 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 109.7 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -114.26 59.11 0.68 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.333 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.451 ' NE2' ' HB3' ' A' ' 27' ' ' CYS . 7.4 t60 -95.42 -45.67 7.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.145 -176.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.464 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . 17.8 p-80 -80.39 136.65 36.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.513 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 11' ' ' PHE . 12.3 ptp -166.86 141.0 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -178.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -79.3 -18.63 52.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.145 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.519 ' O ' ' HG3' ' A' ' 9' ' ' MET . 35.2 p90 -93.97 -179.44 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.499 174.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.757 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -93.04 150.94 20.18 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.273 -175.36 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.742 HH11 ' HB3' ' A' ' 53' ' ' CYS . 12.3 mtp180 -70.8 -42.12 70.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.094 -173.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.507 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 3.3 t -83.67 -80.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.169 -176.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -84.01 71.86 10.5 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 119.299 -0.382 . . . . 0.0 110.362 173.505 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -47.4 69.48 0.0 OUTLIER 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.868 1.667 . . . . 0.0 113.101 -172.147 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.8 t0 -127.53 173.3 9.97 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.547 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.715 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -100.51 -129.92 6.83 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 177.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.72 -143.8 25.93 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.705 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.29 109.34 15.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.805 0.336 . . . . 0.0 110.286 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.715 HD11 ' HA2' ' A' ' 18' ' ' GLY . 1.8 mt -123.11 143.63 49.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.399 -176.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD22 ' HD2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -117.99 154.97 31.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.055 174.722 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 152.88 40.37 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 121.357 -0.137 . . . . 0.0 110.832 -176.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -170.76 1.31 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.575 0.702 . . . . 0.0 111.871 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -90.16 -29.01 18.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.179 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.441 ' HB ' ' HA3' ' A' ' 60' ' ' GLY . 7.8 p -101.06 -58.7 1.83 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.988 -172.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -91.35 156.61 43.4 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.125 -171.54 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 4.9 Cg_endo -88.81 31.55 0.4 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.483 2.789 . . . . 0.0 111.99 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.02 149.11 21.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.21 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.757 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.5 m -115.29 147.17 40.75 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.883 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.471 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 68.1 m-85 -135.7 165.0 26.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.781 -175.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.704 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 61.7 m80 -94.87 -163.58 1.07 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 167.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.694 ' HB ' ' HB2' ' A' ' 40' ' ' LEU . 4.9 pt -108.04 20.97 4.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 119.984 -0.687 . . . . 0.0 111.09 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -145.38 12.84 1.37 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -79.36 -24.37 42.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.955 0.407 . . . . 0.0 111.114 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' H ' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -95.59 -179.04 4.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.396 -177.825 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.651 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 9.3 mmp_? -67.22 -55.56 15.29 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.157 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 4.1 Cg_exo -76.46 102.1 1.57 Allowed 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.293 1.995 . . . . 0.0 111.291 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.22 130.01 40.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.751 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.694 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 1.3 mp -93.52 139.07 31.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.974 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -100.66 -2.17 33.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.197 0.522 . . . . 0.0 109.994 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.3 136.52 21.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.641 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.73 120.43 75.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.21 0.528 . . . . 0.0 111.393 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HD2' HD22 ' A' ' 22' ' ' LEU . 97.3 Cg_endo -84.48 87.71 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.054 2.503 . . . . 0.0 112.604 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -99.06 97.4 8.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.993 0.425 . . . . 0.0 110.475 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 163.25 -104.41 0.23 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.997 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.3 89.15 3.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.055 0.455 . . . . 0.0 110.184 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -143.32 137.16 28.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.153 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.68 162.9 26.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.343 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -90.59 160.37 39.09 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.805 -168.719 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 93.4 Cg_endo -102.8 17.65 0.23 Allowed 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 123.746 2.964 . . . . 0.0 110.91 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -138.21 -69.86 0.44 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.232 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.742 ' HB3' HH11 ' A' ' 13' ' ' ARG . 0.1 OUTLIER -71.03 -16.65 62.62 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.776 -172.219 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 101.51 7.69 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.962 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.27 153.1 65.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.005 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.64 -20.96 30.02 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.355 2.037 . . . . 0.0 112.163 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.64 -3.19 57.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.526 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tp -154.14 100.61 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.261 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.53 166.97 11.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.939 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' HA3' ' HB ' ' A' ' 26' ' ' THR . . . -94.0 -32.69 7.36 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HD2' ' HA ' ' A' ' 61' ' ' LYS . 2.4 tptp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.98 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.423 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.484 1.845 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.423 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 3.6 Cg_exo -74.44 67.07 5.46 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.334 2.689 . . . . 0.0 112.083 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt -145.61 40.32 1.19 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.548 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.56 -142.42 21.03 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.65 -176.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.62 88.28 2.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.884 0.373 . . . . 0.0 110.302 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -114.02 165.19 12.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.802 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -100.45 -79.88 0.49 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.033 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.541 ' HA ' ' O ' ' A' ' 28' ' ' PRO . 8.5 p-80 -90.13 -176.97 5.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.278 176.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.62 153.48 21.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -83.31 4.1 28.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.575 176.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 22.9 p90 -148.26 170.92 16.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.482 -177.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -87.07 122.89 31.52 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.217 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HD2' ' HE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -61.58 -10.43 8.14 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -173.009 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.52 -69.03 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.594 0.235 . . . . 0.0 111.246 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 13.7 p -89.7 -2.26 58.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.626 0.25 . . . . 0.0 111.404 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 67.05 11.36 8.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.24 0.616 . . . . 0.0 111.642 179.738 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.598 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -98.74 149.89 22.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.852 179.256 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' A' ' 11' ' ' PHE . . . -97.18 -159.02 31.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.84 176.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.15 -129.16 8.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.066 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.52 94.89 9.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.228 0.537 . . . . 0.0 110.052 177.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD21 ' HA2' ' A' ' 18' ' ' GLY . 5.2 mt -105.5 148.57 27.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.115 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 22' ' ' LEU . 1.5 mm? -99.95 126.71 46.14 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.179 174.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.3 m -89.28 137.86 31.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.749 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 45.6 m -53.34 162.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.921 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -88.34 -4.71 58.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.81 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.52 HG23 ' SG ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -155.32 -51.78 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.444 -178.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -75.32 168.98 22.73 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -176.147 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 8' ' ' HIS . 68.8 Cg_endo -98.3 45.75 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.779 2.319 . . . . 0.0 112.767 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.85 158.92 22.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.54 -177.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.558 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -128.11 129.49 46.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.798 176.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.422 ' HE1' ' HD2' ' A' ' 13' ' ' ARG . 63.9 m-85 -125.71 164.87 19.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.213 -175.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.54 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 7.8 m80 -99.33 152.07 20.35 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 168.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.409 HG12 ' H ' ' A' ' 33' ' ' ILE . 1.3 pt -58.44 -38.79 72.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 123.085 0.241 . . . . 0.0 111.609 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.445 ' HA ' ' HB1' ' A' ' 39' ' ' ALA . 19.8 p-80 -103.16 15.12 30.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 34.0 m -103.75 2.79 33.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.145 0.497 . . . . 0.0 110.811 177.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mt -96.15 167.04 11.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.53 172.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.636 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 2.2 mtm180 -61.73 -54.14 54.24 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.742 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.636 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 1.8 Cg_endo -79.64 63.8 8.78 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.667 2.245 . . . . 0.0 110.506 172.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' A' ' 34' ' ' HIS . . . -53.69 135.85 40.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.254 -173.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.1 151.85 28.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.657 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -109.99 -1.29 17.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.086 0.47 . . . . 0.0 110.098 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -127.94 143.76 51.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.138 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -80.1 137.06 53.29 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.403 179.696 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HD2' HD11 ' A' ' 22' ' ' LEU . 37.8 Cg_exo -65.01 157.77 55.34 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.832 2.355 . . . . 0.0 111.891 -177.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.63 -43.4 55.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.01 -49.31 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.389 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.04 80.42 3.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.872 0.368 . . . . 0.0 111.311 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -111.46 146.27 37.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.471 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -134.42 134.15 41.3 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.564 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.72 117.59 63.6 Favored Pre-proline 0 N--CA 1.445 -0.699 0 CA-C-O 121.092 0.472 . . . . 0.0 112.122 -172.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . 94.9 Cg_endo -80.09 38.98 0.78 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.76 2.307 . . . . 0.0 111.399 174.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.17 -70.33 0.49 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.713 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -36.91 72.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.35 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 p -108.78 175.95 5.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.714 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -80.41 119.33 76.06 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.653 0.263 . . . . 0.0 110.991 -178.547 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 55' ' ' CYS . 4.6 Cg_exo -74.19 69.88 4.76 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.236 2.624 . . . . 0.0 111.962 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.22 11.74 34.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.05 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 58' ' ' LEU . 7.1 tp -156.54 -176.96 6.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.031 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' HD2' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER 71.67 -71.28 0.14 Allowed 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.92 0.763 . . . . 0.0 111.644 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.91 87.34 0.14 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.603 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tptp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.512 -0.756 . . . . 0.0 109.948 177.586 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.31 -25.67 42.26 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.494 2.13 . . . . 0.0 112.166 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.91 140.32 38.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.98 174.59 21.81 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.13 57.79 2.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.47 0.652 . . . . 0.0 110.633 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -88.44 66.39 8.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.164 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -114.64 -53.86 2.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -100.73 122.92 44.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.2 128.28 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.301 175.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -87.07 41.96 1.0 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.281 0.562 . . . . 0.0 110.163 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 55.4 p90 -168.4 164.45 12.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.355 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -78.64 122.56 26.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.474 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -70.77 17.0 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.2 t -103.19 -69.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.873 0.368 . . . . 0.0 110.496 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.731 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 10.4 p -89.49 -7.1 55.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.603 -176.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 74.13 2.08 4.06 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.433 0.693 . . . . 0.0 112.298 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.737 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -84.05 145.3 28.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.129 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 11' ' ' PHE . . . -143.36 53.28 0.61 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.162 -1.018 . . . . 0.0 113.583 -176.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.41 -67.59 1.63 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.738 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -117.98 104.07 10.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.438 HD11 ' HA2' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -98.66 118.05 34.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.516 -174.459 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 139.14 30.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.479 -0.782 . . . . 0.0 108.931 172.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.64 158.79 39.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.512 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.487 ' HB2' ' H ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -81.25 -155.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.527 0.68 . . . . 0.0 111.76 -176.677 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.487 ' H ' ' HB2' ' A' ' 24' ' ' CYS . 12.3 t70 -100.35 -37.84 8.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.708 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.73 -20.48 18.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.798 -168.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -134.48 160.36 68.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.176 178.029 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.87 33.96 0.44 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.855 2.37 . . . . 0.0 111.434 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.535 ' OG ' ' HB2' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -68.76 100.24 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.224 -176.189 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.659 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -79.4 115.19 18.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.317 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.634 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 24.4 m-85 -132.62 171.09 14.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.587 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.737 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 9.8 m170 -107.66 153.76 22.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 171.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.467 HG21 ' HA ' ' A' ' 43' ' ' VAL . 18.3 pt -67.17 -21.63 28.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -113.61 4.12 15.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 89.0 m -100.96 8.4 43.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.993 0.425 . . . . 0.0 111.833 -177.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 166.45 10.83 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.441 175.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.63 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -69.36 -54.72 10.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.208 174.546 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.63 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 2.5 Cg_endo -77.47 61.64 7.46 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.41 2.073 . . . . 0.0 110.515 172.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.45 152.69 44.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.72 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.635 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.6 mp -111.17 147.18 35.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.626 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -93.86 -0.39 55.77 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.869 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.85 167.53 21.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.514 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 15.0 p -90.18 119.57 69.24 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.351 0.596 . . . . 0.0 110.859 -178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.635 ' HG3' HD22 ' A' ' 40' ' ' LEU . 5.5 Cg_exo -77.73 108.85 2.63 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.966 2.444 . . . . 0.0 111.52 -177.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -105.78 9.02 33.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.056 0.455 . . . . 0.0 110.169 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.95 -91.06 2.1 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.171 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -123.86 142.66 50.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.598 0.237 . . . . 0.0 110.588 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -156.53 155.67 32.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.697 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.547 ' HG3' ' SG ' ' A' ' 53' ' ' CYS . 4.3 tp60 -136.41 124.03 22.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.842 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.2 p -80.93 162.93 58.06 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.99 3.48 4.47 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.79 2.327 . . . . 0.0 111.899 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.72 ' HB3' HH11 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -117.05 1.12 12.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.657 -178.73 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.597 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 4.5 m -60.35 -38.11 82.78 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.247 0.546 . . . . 0.0 110.559 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.75 14.31 25.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.453 -176.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' A' ' 52' ' ' ARG . 10.0 m -108.01 99.59 31.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.164 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.473 ' HB2' ' H ' ' A' ' 57' ' ' ALA . 95.5 Cg_endo -84.98 -139.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.902 2.401 . . . . 0.0 112.11 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.473 ' H ' ' HB2' ' A' ' 56' ' ' PRO . . . 61.17 36.22 18.17 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.17 0.509 . . . . 0.0 110.711 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.1 mt -87.1 -14.77 40.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.571 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.16 51.04 13.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.406 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.02 62.53 3.64 Favored Glycine 0 C--N 1.331 0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.949 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.548 -0.739 . . . . 0.0 109.994 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -77.55 91.3 1.19 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.01 147.48 25.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.861 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.43 -17.2 79.51 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.653 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.3 119.84 10.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.496 -0.352 . . . . 0.0 110.147 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -73.34 127.04 31.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.822 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -102.59 103.77 14.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.923 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -80.79 125.3 29.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.059 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.8 tpt -156.64 146.33 20.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.79 83.12 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.597 ' HA ' HD21 ' A' ' 21' ' ' LEU . 1.5 p90 -174.98 164.03 3.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.779 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 6.7 m -66.02 114.88 5.52 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HD2' ' OH ' ' A' ' 31' ' ' TYR . 36.0 mtt180 -60.5 -24.94 65.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.622 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.68 -66.6 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 111.22 -178.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.55 8.14 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG2' ' HE2' ' A' ' 11' ' ' PHE . 14.4 mttm 39.7 43.98 1.21 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 169.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.779 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.2 p-10 -117.32 167.12 11.52 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.758 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -142.46 -165.58 10.62 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.755 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.01 -112.93 4.47 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.999 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.76 63.38 5.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.595 0.712 . . . . 0.0 109.771 176.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.758 HD22 ' HA2' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -85.92 132.25 34.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.965 -175.468 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tp -85.46 109.3 18.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 161.0 18.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.098 -171.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 9.1 t -70.18 -160.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.106 174.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.555 ' HB3' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -130.89 -31.67 1.71 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.183 175.377 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.63 -15.91 18.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.317 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 6.0 p -138.24 164.81 37.8 Favored Pre-proline 0 N--CA 1.453 -0.299 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 27' ' ' CYS . 95.3 Cg_endo -83.75 1.47 8.86 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.508 2.138 . . . . 0.0 113.121 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -66.94 135.77 54.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.906 0.384 . . . . 0.0 110.301 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.748 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -132.29 162.31 31.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.925 -178.088 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.694 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 79.7 m-85 -143.89 -174.41 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.102 0.477 . . . . 0.0 112.009 -171.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.766 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 47.6 m80 -79.81 -135.86 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 166.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.51 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 47.5 pt -129.28 16.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 121.889 -0.507 . . . . 0.0 109.938 167.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -148.93 12.75 0.87 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.157 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.766 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.3 m -72.78 -43.35 62.9 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.934 -0.478 . . . . 0.0 111.62 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.23 179.9 6.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.553 -173.221 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -54.78 32.15 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.936 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 11.4 Cg_exo -69.83 94.62 0.54 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.143 1.895 . . . . 0.0 111.171 175.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.5 132.27 42.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.571 -174.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' HG ' ' HG3' ' A' ' 44' ' ' PRO . 1.5 mm? -92.56 96.63 10.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.167 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -73.7 -14.68 61.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.991 0.424 . . . . 0.0 110.629 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.85 160.5 39.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.088 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -66.64 116.94 39.66 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.883 0.373 . . . . 0.0 110.619 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.584 ' HG3' ' HG ' ' A' ' 40' ' ' LEU . 72.2 Cg_endo -80.93 77.86 3.88 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.854 2.369 . . . . 0.0 112.622 -176.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.83 133.12 47.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.242 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.19 -131.4 7.2 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.882 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.58 105.42 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.73 0.3 . . . . 0.0 110.378 177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -112.19 141.88 45.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.907 0.385 . . . . 0.0 110.132 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.772 ' HB2' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -130.68 141.01 50.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.043 179.673 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.624 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 11.9 p -66.4 167.25 13.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.624 ' HD2' ' HB2' ' A' ' 50' ' ' CYS . 39.9 Cg_endo -67.5 -3.88 10.94 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.824 2.35 . . . . 0.0 113.149 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -93.06 -51.31 5.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 177.33 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 33.9 m -76.91 -67.56 0.69 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.178 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.772 ' HA ' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER 43.28 -108.42 0.12 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.532 178.347 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.451 ' H ' ' HB ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -117.66 106.07 46.82 Favored Pre-proline 0 N--CA 1.45 -0.457 0 CA-C-O 120.773 0.32 . . . . 0.0 110.419 -178.568 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -75.24 72.08 4.92 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.958 2.438 . . . . 0.0 111.875 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.7 -38.47 81.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.649 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -139.05 15.5 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.804 176.397 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.65 49.79 4.81 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.008 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.09 -42.48 1.37 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.377 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.589 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.79 -20.16 46.24 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.802 2.335 . . . . 0.0 112.381 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.6 mt -110.61 -172.77 2.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.906 176.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.39 52.8 4.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.034 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.73 135.77 38.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 58.83 33.63 23.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.279 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.447 ' HB3' ' H ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -134.89 -94.07 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.705 178.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.447 ' H ' ' HB3' ' A' ' 7' ' ' HIS . 51.9 t-80 -115.54 143.5 45.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.91 166.88 31.5 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -94.35 34.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.12 0.485 . . . . 0.0 110.842 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.632 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 49.8 p90 -161.06 160.99 31.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.465 177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -81.9 126.45 31.92 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.34 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -59.25 -18.93 41.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -171.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 35' ' ' CYS . 84.3 t -78.54 -67.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -177.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 9.5 p -91.09 -3.84 56.79 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.575 -174.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 69.11 1.89 3.39 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.158 0.583 . . . . 0.0 112.232 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.726 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -80.12 142.47 34.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.481 0.182 . . . . 0.0 110.622 179.049 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.632 ' HA2' ' HA ' ' A' ' 11' ' ' PHE . . . -104.5 -131.96 7.31 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.488 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.14 -141.38 16.24 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.551 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -99.63 104.0 15.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.28 169.64 9.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.843 -172.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 tp -108.45 107.1 17.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.825 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.81 154.1 22.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.021 0.438 . . . . 0.0 112.017 -171.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 49' ' ' GLN . 52.2 t -64.84 162.47 16.17 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.426 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -103.54 -10.63 18.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.532 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.7 p -106.59 -39.53 5.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -115.43 151.74 46.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.109 176.55 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 6.2 Cg_exo -83.05 36.2 0.61 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.76 2.306 . . . . 0.0 112.47 -176.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.65 120.08 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.098 0.475 . . . . 0.0 111.521 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.508 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -86.02 121.69 29.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.914 177.085 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.649 ' CD1' HD23 ' A' ' 36' ' ' LEU . 1.5 m-85 -131.89 173.21 11.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.07 0.462 . . . . 0.0 111.517 -173.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.531 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 10.3 m80 -117.78 150.99 38.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 171.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.692 HD13 ' N ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -57.79 -26.04 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.329 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -110.14 -3.96 16.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.65 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 89.4 m -98.06 44.22 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.052 0.453 . . . . 0.0 111.511 -178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD23 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -158.19 179.53 9.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.136 177.247 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.646 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 2.3 ttp180 -61.75 -56.42 32.69 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.605 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.646 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 98.8 Cg_endo -82.52 72.05 6.21 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.058 1.838 . . . . 0.0 112.12 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.33 129.0 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.636 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.44 HD13 ' HG3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -118.72 -170.69 1.95 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.282 -178.447 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -126.72 52.5 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.575 0.226 . . . . 0.0 111.082 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.692 ' N ' HD13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER 61.02 48.53 6.42 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.431 0.634 . . . . 0.0 110.073 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.659 ' H ' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -101.29 -59.38 0.1 Allowed Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.998 -173.09 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.659 ' HD2' ' H ' ' A' ' 43' ' ' VAL . 44.4 Cg_endo -66.48 157.55 59.98 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.309 2.673 . . . . 0.0 112.13 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -173.76 123.91 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.74 -62.42 4.39 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.825 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.94 61.83 7.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.979 0.418 . . . . 0.0 110.342 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -139.19 160.46 39.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.549 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 12.0 pt20 -157.1 153.94 28.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.666 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.402 ' C ' ' H ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -53.95 158.0 3.8 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-O 121.092 0.472 . . . . 0.0 111.368 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.729 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 83.5 Cg_endo -78.92 18.45 1.01 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.239 1.96 . . . . 0.0 110.982 172.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER -113.95 -34.24 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.206 -175.808 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -16.89 57.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 110.042 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.23 57.22 4.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.945 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -64.91 -55.68 26.1 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.517 -178.387 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 84.4 Cg_endo -84.43 41.23 0.96 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.188 1.925 . . . . 0.0 112.117 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 155.49 35.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.75 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mp -93.89 114.15 26.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.86 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.729 ' HG3' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -91.66 63.83 4.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.894 0.378 . . . . 0.0 111.245 -176.149 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.66 -36.39 33.42 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.037 175.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.726 176.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.507 0 N-CA-C 111.934 -0.467 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.87 -32.48 55.2 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.012 2.474 . . . . 0.0 112.248 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.8 mt -118.61 49.57 1.28 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.188 0.518 . . . . 0.0 110.312 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.86 -161.28 30.57 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.416 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 61.23 96.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 111.238 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 t0 73.8 119.27 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.935 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -6.55 59.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.006 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -76.52 90.59 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.957 0.408 . . . . 0.0 110.09 178.224 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 ttt -83.02 141.63 31.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.863 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.52 25.05 10.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.294 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.448 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 16.4 p90 -162.98 168.83 20.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.377 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.645 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 16.2 m -67.75 123.71 21.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.694 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.996 HH21 ' HB3' ' A' ' 53' ' ' CYS . 2.1 ptp180 -63.31 -14.39 49.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.42 -68.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.583 0.706 . . . . 0.0 110.562 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.5 10.75 3.55 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -177.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 42.87 39.81 1.88 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 167.059 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.645 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.3 p-10 -115.3 169.33 9.22 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.707 0.289 . . . . 0.0 111.31 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.719 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -136.59 -142.21 4.41 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.529 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.06 -119.31 4.91 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.978 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.44 97.12 9.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.719 HD11 ' HA2' ' A' ' 18' ' ' GLY . 3.0 mt -106.47 141.86 37.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.289 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.535 ' HB3' ' O ' ' A' ' 32' ' ' HIS . 1.3 tp -86.85 106.08 17.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 m -106.42 133.51 51.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.716 -173.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.43 155.85 34.19 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.138 0.494 . . . . 0.0 112.301 -177.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.501 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 9.1 t70 -93.01 -12.19 31.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.997 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.73 -17.77 21.89 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.243 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.25 159.48 30.98 Favored Pre-proline 0 N--CA 1.448 -0.572 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.507 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.476 ' HB2' ' HA ' ' A' ' 8' ' ' HIS . 96.6 Cg_endo -89.09 58.51 2.23 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.474 2.116 . . . . 0.0 113.278 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -113.55 164.26 13.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.376 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -133.04 140.71 47.85 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.683 0.278 . . . . 0.0 110.95 -177.306 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.595 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 97.2 m-85 -141.88 -179.71 6.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -177.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.704 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 25.6 m80 -78.85 -120.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 168.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.524 HG21 ' HB ' ' A' ' 43' ' ' VAL . 50.9 pt -136.21 14.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.925 167.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -162.67 19.12 0.09 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -174.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -70.27 -23.66 62.92 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.257 0.551 . . . . 0.0 110.672 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD13 ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -91.38 -178.77 5.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.607 -178.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.677 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 2.6 mtm180 -60.01 -54.57 54.06 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.536 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 4.9 Cg_exo -77.25 90.32 1.25 Allowed 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.089 1.859 . . . . 0.0 111.427 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.25 133.21 45.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.84 139.25 41.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.936 0.398 . . . . 0.0 110.549 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -91.28 -30.67 16.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.98 125.23 53.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.502 175.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.524 ' HB ' HG21 ' A' ' 33' ' ' ILE . 2.1 p -64.38 119.29 55.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -175.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.79 60.76 7.96 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.033 2.489 . . . . 0.0 111.797 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.4 124.27 19.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.435 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.32 -142.66 10.22 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.273 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -85.5 56.16 3.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.372 0.606 . . . . 0.0 110.103 177.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.404 ' CZ2' ' HD3' ' A' ' 51' ' ' PRO . 45.2 t90 -68.65 134.02 49.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.167 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.55 140.22 37.82 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.655 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -61.72 121.26 63.41 Favored Pre-proline 0 N--CA 1.447 -0.582 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -177.241 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.736 ' HG2' HD13 ' A' ' 36' ' ' LEU . 74.0 Cg_endo -91.27 17.03 1.45 Allowed 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 123.18 2.587 . . . . 0.0 110.457 167.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.54 -50.14 0.21 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -173.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.996 ' HB3' HH21 ' A' ' 13' ' ' ARG . 0.0 OUTLIER -83.76 -32.88 25.18 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.472 0.653 . . . . 0.0 110.633 -174.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -70.16 -22.74 62.94 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.458 -175.59 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.634 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -60.34 -57.7 24.68 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 178.394 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.634 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 15.9 Cg_exo -69.4 -23.42 32.47 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.186 1.924 . . . . 0.0 111.995 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.9 -54.36 8.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 110.469 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.2 mt -116.16 -95.9 0.47 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.892 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 6.2 mmtt -135.92 154.56 51.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.72 -171.58 48.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.425 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.783 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.432 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 37.2 Cg_exo -63.15 -59.82 0.21 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.732 2.288 . . . . 0.0 112.469 -177.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 3' ' ' LEU . 4.6 mt -123.3 154.16 39.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.751 0.31 . . . . 0.0 110.548 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' N ' ' HG2' ' A' ' 10' ' ' GLU . . . -98.2 71.47 0.63 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.382 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -65.13 0.69 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.957 0.408 . . . . 0.0 110.837 -177.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.58 -63.22 0.05 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -93.02 60.19 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.221 170.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.447 ' HA ' ' HB2' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -174.73 149.51 1.22 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.279 -175.026 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.762 ' HB2' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -139.52 146.9 40.51 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.096 -175.175 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -125.54 24.74 7.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.693 174.094 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -161.04 162.42 31.7 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.82 -177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.752 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -75.33 114.07 13.43 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.706 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HB3' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -62.01 -13.71 28.44 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.297 -173.71 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.77 -41.22 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.491 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 11.5 p -125.67 -7.46 6.81 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.733 -176.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 70.53 24.4 4.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.316 0.646 . . . . 0.0 111.721 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.876 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 8.2 t0 -107.25 160.29 15.71 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.76 0.314 . . . . 0.0 111.356 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.11 -168.33 21.39 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.645 174.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.74 -118.08 3.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.767 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -77.97 85.86 4.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 84.6 mt -105.45 109.31 21.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.152 -172.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.532 HD11 ' HD2' ' A' ' 44' ' ' PRO . 6.3 mt -78.38 121.2 24.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.18 171.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.14 128.8 35.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.776 0.322 . . . . 0.0 111.159 -176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 27' ' ' CYS . 18.9 m -47.71 145.85 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.876 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -81.2 -43.27 19.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.309 0.576 . . . . 0.0 110.377 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -100.54 -27.99 13.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.537 -175.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.409 ' H ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -109.94 170.28 5.51 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.196 -172.277 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HB2' ' HA ' ' A' ' 8' ' ' HIS . 68.4 Cg_endo -96.48 13.79 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.638 2.225 . . . . 0.0 112.21 -177.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.762 ' HA ' ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -87.65 167.81 13.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.302 0.572 . . . . 0.0 111.92 -175.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.752 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -128.47 150.86 49.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.049 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.58 ' HE1' ' HD3' ' A' ' 52' ' ' ARG . 37.2 m-85 -135.62 157.38 47.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.855 0.36 . . . . 0.0 111.634 -173.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.876 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 5.4 m80 -98.73 145.35 27.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.509 HD13 HG22 ' A' ' 43' ' ' VAL . 1.7 pt -68.78 -10.67 13.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 7.18 10.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.106 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.665 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 15.2 m -103.32 5.51 37.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 110.792 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.34 172.94 6.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.053 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.79 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -72.07 -57.74 3.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.165 176.075 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.79 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 6.9 Cg_endo -83.25 82.62 2.06 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.341 2.027 . . . . 0.0 110.8 173.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.01 147.73 52.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.663 -173.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mp -108.66 143.24 38.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.557 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -95.9 1.2 52.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 110.264 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.15 159.56 41.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.539 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.509 HG22 HD13 ' A' ' 33' ' ' ILE . 3.3 t -99.88 110.63 59.84 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.618 0.247 . . . . 0.0 110.909 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HD2' HD11 ' A' ' 22' ' ' LEU . 14.3 Cg_exo -68.14 177.3 4.55 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.826 2.35 . . . . 0.0 111.605 177.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.77 -159.99 0.54 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.589 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.48 33.93 2.27 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.939 176.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.2 61.69 1.36 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 22' ' ' LEU . 61.7 t90 -137.13 134.76 36.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.568 -174.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -109.37 129.61 55.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.293 0.568 . . . . 0.0 110.28 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 54' ' ' THR . 0.3 OUTLIER -69.16 136.29 89.22 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.335 -173.057 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.89 11.3 3.37 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.034 2.489 . . . . 0.0 111.646 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HD3' ' HE1' ' A' ' 31' ' ' TYR . 3.5 ttt180 -109.65 -73.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.587 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -25.87 59.35 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.298 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 64.23 -60.17 0.2 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.732 1.213 . . . . 0.0 112.902 176.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.616 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 9.5 m -157.59 -55.84 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.616 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 1.9 Cg_endo -86.86 79.12 1.76 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.529 2.153 . . . . 0.0 113.041 -175.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.46 15.8 21.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.029 0.442 . . . . 0.0 110.467 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.89 -48.88 6.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.116 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.17 99.31 9.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.101 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.52 -109.19 0.77 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.222 -177.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.452 -0.785 . . . . 0.0 110.17 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.66 -21.3 39.39 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.378 2.052 . . . . 0.0 112.696 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.4 mt -74.64 133.24 42.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 110.552 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.87 -54.2 4.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.096 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 3.3 m -70.0 -4.71 22.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.715 0.293 . . . . 0.0 111.582 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -65.38 -33.85 76.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.059 0.457 . . . . 0.0 110.335 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -81.36 -60.38 2.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.928 175.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.673 ' HB3' ' HB2' ' A' ' 28' ' ' PRO . 2.2 p-80 -157.91 165.66 34.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.377 177.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -145.28 139.92 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.086 0.469 . . . . 0.0 111.077 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.509 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -89.71 37.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.927 -178.524 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -160.85 168.15 25.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.719 ' HB2' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -83.63 120.43 25.96 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -57.79 -26.23 61.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.411 -172.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.0 t -66.3 -73.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 8.5 p -83.46 -7.24 59.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.617 0.246 . . . . 0.0 111.433 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm 72.36 0.94 3.77 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.526 0.73 . . . . 0.0 112.074 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.651 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 2.8 t0 -79.82 149.93 30.86 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.755 0.312 . . . . 0.0 110.966 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.541 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -110.4 -117.49 3.83 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.211 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.79 -132.96 18.35 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.618 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -91.99 121.11 33.26 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.541 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -128.96 166.14 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.562 -174.279 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 116.23 31.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.291 -1.004 . . . . 0.0 108.291 172.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 m -91.34 153.71 19.72 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.392 -172.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 63.9 m -51.93 159.35 0.87 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.93 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -96.05 -9.78 30.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.422 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -118.33 -64.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.031 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.599 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -80.41 167.14 35.18 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.507 -177.014 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.673 ' HB2' ' HB3' ' A' ' 8' ' ' HIS . 41.8 Cg_endo -93.69 31.05 0.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 122.887 2.392 . . . . 0.0 112.198 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.8 167.82 10.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.082 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.676 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 3.4 m -124.28 146.63 48.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.855 177.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.719 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 25.4 m-85 -137.32 168.12 20.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.09 0.471 . . . . 0.0 112.024 -174.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.601 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 21.2 m80 -115.77 153.67 31.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 170.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 pt -71.5 -20.48 21.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -106.58 0.23 24.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 74.7 m -100.31 17.35 21.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.963 0.411 . . . . 0.0 111.858 -176.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.18 170.37 8.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.783 175.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -68.5 -57.13 8.94 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.269 175.062 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HD3' ' CB ' ' A' ' 37' ' ' ARG . 3.6 Cg_exo -76.05 63.74 6.88 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.4 2.067 . . . . 0.0 110.814 174.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.24 148.15 37.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.608 -174.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.4 mp -120.34 157.25 29.63 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.012 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.54 -10.0 20.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.481 . . . . 0.0 109.89 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -132.91 167.97 19.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.744 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 3.7 t -95.24 121.9 61.0 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.549 ' HB2' ' HB2' ' A' ' 48' ' ' TRP . 5.7 Cg_exo -79.84 73.92 5.79 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.201 2.601 . . . . 0.0 111.563 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.02 117.11 13.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.545 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.13 -89.02 0.5 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.994 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -88.04 105.53 17.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.906 0.384 . . . . 0.0 111.571 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.549 ' HB2' ' HB2' ' A' ' 44' ' ' PRO . 60.5 t90 -167.13 130.55 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.617 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.85 128.3 51.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.76 130.8 94.64 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.854 -175.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.91 37.82 0.52 Allowed 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.872 2.382 . . . . 0.0 111.985 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.62 -57.12 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.566 -177.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.46 65.71 2.74 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.277 0.561 . . . . 0.0 111.108 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -28.71 70.17 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.281 174.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.528 ' SG ' ' HE2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -133.29 116.8 14.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.048 166.208 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' ' HB3' ' A' ' 27' ' ' CYS . 5.2 Cg_endo -53.47 -38.63 83.29 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.77 2.313 . . . . 0.0 112.038 -174.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.5 83.19 2.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.69 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 5.6 mt -66.71 96.17 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.463 -177.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -119.52 -34.22 3.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.439 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -132.21 75.6 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.346 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' HE2' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.368 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.89 -35.36 98.82 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.192 2.595 . . . . 0.0 112.651 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.1 mt -108.62 22.85 15.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.521 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.68 13.95 65.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.451 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.33 55.47 1.22 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.187 0.518 . . . . 0.0 110.362 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -121.01 -61.37 1.56 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.77 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -71.47 -39.72 70.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.535 0.683 . . . . 0.0 109.207 174.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.431 ' HB3' ' H ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -146.62 -125.32 0.06 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.843 176.337 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.52 ' SD ' ' HA ' ' A' ' 29' ' ' SER . 16.7 ptm -173.97 131.56 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 174.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -92.57 37.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.481 0.658 . . . . 0.0 110.435 -178.288 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 5.0 p90 -162.85 164.32 26.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.231 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.616 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.36 156.21 16.61 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.76 -175.276 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -74.43 -39.73 62.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -173.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.735 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 39.0 t -83.28 -82.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.661 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -82.41 76.04 9.3 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 118.91 -0.566 . . . . 0.0 110.237 172.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.616 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 4.8 mttt -49.01 64.79 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.836 1.654 . . . . 0.0 113.422 -171.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.547 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 4.3 t70 -119.78 166.6 13.04 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.512 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.601 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -96.72 -116.99 3.38 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.68 -131.44 21.45 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.093 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.06 104.1 16.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.601 HD11 ' HA2' ' A' ' 18' ' ' GLY . 34.9 mt -109.66 113.77 26.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.666 -175.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.438 HD13 ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -76.74 120.68 22.24 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 169.456 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.65 144.62 31.21 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.919 -174.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 29' ' ' SER . 26.5 m -56.35 155.38 7.04 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.575 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' HB3' ' OE1' ' A' ' 49' ' ' GLN . 39.1 t70 -71.2 -77.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -100.78 19.49 17.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.262 0.553 . . . . 0.0 110.953 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.638 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 1.6 t -128.61 145.98 58.29 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 86.7 Cg_endo -91.19 52.22 0.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.677 2.251 . . . . 0.0 113.016 -171.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.645 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 1.2 m -131.15 162.99 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.849 0.357 . . . . 0.0 111.075 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.535 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 m -137.54 145.16 42.58 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.31 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.545 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 96.9 m-85 -137.91 179.37 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.249 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.727 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 53.9 m80 -99.32 -141.37 0.32 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 pt -123.58 12.62 5.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.299 171.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.56 23.08 1.97 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.564 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.735 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . 1.6 m -89.03 -57.61 2.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.186 0.517 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.565 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -80.08 161.04 25.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.818 -176.618 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -57.57 -51.11 84.16 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.427 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.565 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 73.7 Cg_endo -73.9 64.39 4.99 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.799 1.666 . . . . 0.0 110.989 174.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 158.43 14.18 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.624 -173.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.516 ' HG ' ' CG ' ' A' ' 44' ' ' PRO . 1.9 mm? -105.38 127.42 52.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.075 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -82.11 -24.41 35.17 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -134.09 151.48 51.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.018 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 3.2 t -72.61 120.54 81.23 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.769 0.318 . . . . 0.0 111.049 -177.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.516 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 13.0 Cg_exo -71.95 145.52 45.36 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.095 2.53 . . . . 0.0 112.05 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -150.48 129.76 12.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.346 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.16 -90.52 0.35 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 78.62 1.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.895 0.378 . . . . 0.0 110.451 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -106.02 112.38 25.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.725 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' OE1' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -101.88 135.16 43.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.286 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -76.06 143.61 74.18 Favored Pre-proline 0 C--N 1.318 -0.796 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -171.258 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 97.5 Cg_endo -100.24 26.28 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.167 0 C-N-CA 123.55 2.833 . . . . 0.0 111.616 176.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 -59.14 0.67 Allowed 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -40.67 85.61 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.501 -174.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 50.5 58.37 5.59 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.147 0.579 . . . . 0.0 111.218 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 27' ' ' CYS . 0.6 OUTLIER -67.65 160.92 70.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.958 -179.411 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -70.26 8.12 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.989 2.459 . . . . 0.0 112.671 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.47 68.3 9.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.217 0.532 . . . . 0.0 109.738 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.8 54.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.958 -176.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -66.87 -31.83 72.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.79 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.07 -69.39 0.21 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.687 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.921 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -61.14 134.92 55.36 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.76 2.307 . . . . 0.0 112.061 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.7 119.6 38.37 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.576 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.06 -179.7 50.98 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.413 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.87 51.34 1.71 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.221 0.534 . . . . 0.0 110.999 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.18 111.75 23.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.964 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.56 -10.17 52.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.167 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -152.21 140.54 20.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.216 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -127.09 112.13 14.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.932 0.396 . . . . 0.0 110.792 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -83.24 -21.52 33.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.393 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -101.3 160.44 14.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.752 176.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.821 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -71.99 143.32 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.915 -177.31 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 -67.58 -51.1 54.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.724 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 2.4 t -68.42 -75.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.78 30.65 0.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.642 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 20.1 mtpt 22.38 58.88 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.789 1.236 . . . . 0.0 113.923 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.879 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 28.4 t70 -150.8 158.36 44.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.721 -176.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 21' ' ' LEU . . . -110.75 -132.79 6.23 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.12 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.8 -82.81 1.18 Allowed Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.543 ' O ' ' HA ' ' A' ' 32' ' ' HIS . 1.3 tp10 -84.03 89.54 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -110.85 97.16 6.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.976 -0.557 . . . . 0.0 112.296 -169.368 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.624 HD11 ' HD2' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -83.15 154.69 24.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.969 169.768 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.42 130.39 47.64 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.981 -178.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.25 147.07 8.23 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 123.764 0.665 . . . . 0.0 111.026 176.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 49' ' ' GLN . 36.9 t70 -64.96 -68.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.611 -177.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.8 t -114.27 0.16 14.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.446 0.641 . . . . 0.0 110.835 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 165.13 14.7 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.601 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -97.12 26.84 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.834 2.356 . . . . 0.0 112.582 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.27 175.53 5.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.318 0.58 . . . . 0.0 111.019 -177.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.821 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 2.6 m -128.34 158.28 38.68 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.637 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 14.2 m-85 -140.54 173.27 11.66 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.133 -174.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.879 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 17.5 m80 -91.79 -152.82 0.31 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 168.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.448 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 20.8 pt -114.1 11.94 8.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 167.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.533 ' HA ' ' HB1' ' A' ' 39' ' ' ALA . 13.3 p-80 -150.33 24.45 0.81 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.688 -174.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.796 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 3.1 m -78.04 -30.01 49.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.098 0.475 . . . . 0.0 110.248 175.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.577 HD13 ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -99.91 172.83 6.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.196 -173.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.624 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 1.1 tpm_? -70.52 -53.06 10.3 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.993 177.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 4.5 Cg_exo -77.43 59.74 6.8 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.402 2.068 . . . . 0.0 111.136 175.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 34' ' ' HIS . . . -79.09 177.9 8.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.423 -175.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.587 HD13 ' HD3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -132.94 168.79 17.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.652 178.53 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.32 -14.95 15.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.296 0.57 . . . . 0.0 109.834 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -121.46 169.55 10.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.198 175.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.37 123.67 45.62 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-O 120.838 0.352 . . . . 0.0 110.219 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.624 ' HD2' HD11 ' A' ' 22' ' ' LEU . 18.3 Cg_endo -63.4 154.73 66.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.758 2.305 . . . . 0.0 112.089 -177.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -112.24 114.98 28.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.398 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.98 -114.69 4.1 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.56 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.73 149.78 25.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.855 0.36 . . . . 0.0 111.247 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -157.76 104.79 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.018 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.616 ' HA ' ' HB2' ' A' ' 25' ' ' ASP . 1.8 tm0? -86.47 110.42 19.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.9 112.55 6.96 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.674 -174.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.577 ' HG2' HD13 ' A' ' 36' ' ' LEU . 65.4 Cg_endo -76.98 52.43 3.79 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.717 2.278 . . . . 0.0 112.269 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -142.95 -60.65 0.43 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.073 178.865 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 45.52 1.21 Allowed 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.41 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.85 75.25 4.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.532 -175.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.44 105.06 53.22 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -58.39 132.4 48.44 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.836 2.357 . . . . 0.0 112.557 -176.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 58.84 55.12 4.76 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.578 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -73.78 -26.51 60.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.458 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 mttp 61.99 55.97 2.42 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.842 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.65 20.19 15.55 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.683 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.599 -0.715 . . . . 0.0 109.7 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 111.913 -0.475 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.82 174.22 11.91 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.8 2.333 . . . . 0.0 112.524 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.05 86.09 4.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.986 176.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.04 -99.43 1.8 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.69 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -124.77 135.62 53.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.005 0.431 . . . . 0.0 110.879 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -124.34 128.59 49.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.242 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 57.45 86.4 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.823 0.702 . . . . 0.0 111.236 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.28 137.12 33.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.784 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.653 ' HB3' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -94.1 62.38 3.04 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.199 -177.564 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.09 40.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.351 0.596 . . . . 0.0 110.021 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 21.8 p90 -157.99 165.67 34.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.365 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' A' ' 30' ' ' SER . 57.0 m -64.26 140.53 58.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.831 0.348 . . . . 0.0 111.459 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -74.08 -24.97 59.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.217 178.814 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -104.38 -67.06 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.417 0.627 . . . . 0.0 110.848 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -77.79 -0.9 28.86 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 3.5 mttt 45.69 25.89 0.3 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 169.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' OD1' ' SG ' ' A' ' 12' ' ' CYS . 7.5 p-10 -93.77 159.69 15.09 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.762 0.315 . . . . 0.0 110.547 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -124.87 35.91 3.0 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.025 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.96 -115.03 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.875 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.8 105.64 3.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 175.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.65 ' HG ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -106.38 105.39 15.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.373 0.606 . . . . 0.0 112.141 -170.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.509 HD22 HG22 ' A' ' 33' ' ' ILE . 5.7 tp -101.13 115.87 31.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.71 173.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 29' ' ' SER . 1.7 m -112.46 149.87 32.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.08 -169.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.87 167.54 21.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.392 175.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -95.52 -23.92 16.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 0.0 110.676 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -81.22 -36.76 29.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.29 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 149.17 47.16 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.052 -175.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.82 35.49 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.975 2.45 . . . . 0.0 112.565 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.653 ' HA ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -104.38 164.15 11.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.5 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.65 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 1.1 m -133.61 152.55 51.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.384 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 80.9 m-85 -141.59 -176.77 4.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.437 . . . . 0.0 111.624 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.789 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 22.0 m80 -82.6 -144.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 165.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.509 HG22 HD22 ' A' ' 22' ' ' LEU . 7.3 pt -117.47 12.74 7.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.567 165.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.453 ' ND1' HG13 ' A' ' 33' ' ' ILE . 22.1 p-80 -157.39 24.33 0.29 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -173.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.789 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -71.79 -43.84 65.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.124 0.488 . . . . 0.0 111.126 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.515 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -82.81 169.07 16.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.787 -176.792 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.668 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 16.4 tpt180 -52.13 -53.11 55.72 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.196 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.668 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 6.6 Cg_exo -74.55 68.79 5.3 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.349 2.033 . . . . 0.0 111.634 178.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.74 141.2 55.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.524 -176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -97.01 155.38 16.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.248 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.76 15.7 21.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.483 0.658 . . . . 0.0 109.624 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -153.07 165.32 35.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.168 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.7 t -95.6 110.29 50.29 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.497 0.189 . . . . 0.0 110.549 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.75 93.96 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.003 2.469 . . . . 0.0 111.807 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -90.58 104.58 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.671 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 147.28 -77.43 0.25 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.6 111.44 7.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.948 0.404 . . . . 0.0 110.769 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -124.93 143.61 50.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.979 0.419 . . . . 0.0 110.815 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 50' ' ' CYS . 7.2 tp60 -139.66 133.14 30.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.786 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 49' ' ' GLN . 29.5 p -70.71 168.13 22.45 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.074 178.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' HD3' HD13 ' A' ' 36' ' ' LEU . 19.6 Cg_exo -59.92 -48.39 12.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.844 1.696 . . . . 0.0 110.171 172.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.77 39.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.237 -1.347 . . . . 0.0 108.193 173.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.428 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER 47.58 53.28 11.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.841 -175.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.3 t -105.53 119.79 40.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.293 -176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 13' ' ' ARG . 1.1 m -88.68 -51.69 0.38 Allowed Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.523 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -85.4 85.43 1.18 Allowed 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.528 2.152 . . . . 0.0 112.254 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.74 162.68 12.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.339 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' HB3' ' H ' ' A' ' 59' ' ' LYS . 1.9 mt 65.36 -98.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.512 0.507 . . . . 0.0 110.82 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HB3' ' HE3' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -117.23 7.15 12.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.109 0.481 . . . . 0.0 110.601 178.808 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.96 -177.9 16.71 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.914 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.243 0.731 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.804 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.657 ' HG2' ' HG2' ' A' ' 28' ' ' PRO . 23.3 Cg_exo -70.87 -15.65 32.92 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.828 2.352 . . . . 0.0 113.044 -174.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.608 HD11 ' HG3' ' A' ' 9' ' ' MET . 61.5 mt -107.32 12.77 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.764 0.316 . . . . 0.0 110.58 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.1 -89.03 0.32 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.635 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -29.7 64.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -108.63 162.65 13.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.312 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -107.75 -65.04 1.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.745 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -93.2 173.89 7.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.608 ' HG3' HD11 ' A' ' 3' ' ' LEU . 2.3 ttm -118.11 145.05 45.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.014 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -101.97 25.89 8.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.134 0.492 . . . . 0.0 110.314 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' HA ' HD21 ' A' ' 21' ' ' LEU . 44.8 p90 -164.79 155.18 14.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.585 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.97 118.6 20.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.539 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.586 ' HB2' ' HG3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -62.11 -17.6 58.24 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -172.718 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 88.0 t -67.79 -45.28 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.724 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 11.3 p -123.93 -0.92 8.4 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 72.67 -4.03 2.21 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.309 0.643 . . . . 0.0 112.177 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.724 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -84.32 147.57 27.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.582 0.229 . . . . 0.0 110.875 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.76 -151.54 14.96 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.704 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.31 -112.55 4.03 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.121 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.68 84.0 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.725 ' HG ' ' HB2' ' A' ' 30' ' ' SER . 0.0 OUTLIER -97.43 104.06 16.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.712 -173.122 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD13 ' HD2' ' A' ' 44' ' ' PRO . 4.1 tp -81.87 113.83 20.07 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.94 149.29 30.86 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.341 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -61.67 160.65 11.21 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 178.676 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.76 -78.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 111.561 -175.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 t -93.93 6.08 49.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.429 0.633 . . . . 0.0 110.568 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 4.8 t -111.9 135.23 21.23 Favored Pre-proline 0 N--CA 1.445 -0.681 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.657 ' HG2' ' HG2' ' A' ' 2' ' ' PRO . 90.2 Cg_endo -91.44 55.78 0.93 Allowed 'Trans proline' 0 C--N 1.329 -0.469 0 C-N-CA 123.303 2.669 . . . . 0.0 113.288 -169.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -128.28 127.07 42.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.123 0.487 . . . . 0.0 111.479 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.725 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -97.21 137.56 36.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.888 -177.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.651 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 51.1 m-85 -137.2 175.47 9.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.044 0.45 . . . . 0.0 111.107 -177.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.68 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 13.1 m80 -109.21 142.35 40.16 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 168.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.7 pt -58.13 -30.62 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.193 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -97.89 -0.27 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.62 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 15.5 m -94.63 -21.45 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.003 0.43 . . . . 0.0 110.621 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.11 155.76 38.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.186 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -55.96 -57.09 24.0 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.116 -179.428 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 40.6 Cg_endo -84.73 74.42 4.05 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 121.943 1.762 . . . . 0.0 110.676 173.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.8 128.69 18.73 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.204 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.546 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -99.93 137.9 37.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.125 179.252 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -86.95 -19.71 28.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.98 0.419 . . . . 0.0 110.523 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.46 150.61 50.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.851 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -71.74 120.13 78.23 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.448 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.546 ' HG3' HD22 ' A' ' 40' ' ' LEU . 52.6 Cg_exo -55.24 147.33 55.86 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.219 2.613 . . . . 0.0 112.941 -176.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.35 138.01 47.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.122 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.92 -108.82 2.61 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.593 173.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 133.19 37.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.569 0.223 . . . . 0.0 111.038 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.472 ' HE3' ' HA ' ' A' ' 24' ' ' CYS . 42.9 t90 -163.47 125.94 2.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.207 0.527 . . . . 0.0 110.769 174.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.453 HE21 ' HA ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -132.43 151.95 51.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.174 174.207 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.815 ' CB ' ' HB3' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -68.66 145.34 96.95 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-O 121.161 0.505 . . . . 0.0 112.258 -172.182 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.79 -25.71 7.5 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.691 2.261 . . . . 0.0 112.203 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -162.32 37.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.532 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.815 ' HB3' ' CB ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -116.84 -35.73 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -178.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -35.87 82.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.385 0.612 . . . . 0.0 110.403 174.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.83 91.4 37.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.817 177.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.495 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 8.7 Cg_exo -75.65 41.82 0.85 Allowed 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.09 2.527 . . . . 0.0 112.475 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.31 -53.92 6.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.328 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.594 HD23 ' HB2' ' A' ' 59' ' ' LYS . 1.2 tt -71.68 -47.53 53.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.594 ' HB2' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -154.82 170.56 21.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.029 -179.572 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.45 -127.24 1.02 Allowed Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.586 ' HG3' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.05 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.007 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.08 -54.61 3.79 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.616 2.211 . . . . 0.0 112.067 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mp -86.28 83.17 7.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.71 -44.3 12.88 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.234 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -80.24 70.57 6.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.422 0.63 . . . . 0.0 110.619 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.37 -40.05 85.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.512 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -143.61 157.75 44.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.03 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -63.78 117.13 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.019 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.5 mtm -87.33 81.08 8.0 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.133 0.492 . . . . 0.0 109.968 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.34 41.21 0.52 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.449 0.642 . . . . 0.0 110.351 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -152.79 167.1 30.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.791 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -71.08 117.21 12.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.686 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.606 ' NH2' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -83.29 20.7 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.401 0.62 . . . . 0.0 109.387 170.79 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.415 ' H ' ' C ' ' A' ' 12' ' ' CYS . 2.2 t -119.09 -53.13 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.669 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 7.3 p -113.16 -0.12 14.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.524 -176.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.61 12.39 8.67 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.364 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.651 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 8.1 t70 -79.59 137.71 37.22 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.918 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.516 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -126.27 28.26 4.85 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.304 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.71 -96.41 0.76 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -110.87 113.59 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.516 HD11 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -138.03 176.42 8.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.062 0.458 . . . . 0.0 110.835 -175.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.68 130.83 51.18 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -89.31 169.12 11.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.751 -171.192 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 17.9 t -76.87 -178.81 5.07 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.588 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.13 -11.92 12.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.582 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 -19.97 4.62 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.218 -174.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 18.7 p -128.97 155.19 80.07 Favored Pre-proline 0 C--N 1.328 -0.365 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.231 173.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -81.8 56.44 5.9 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.626 2.217 . . . . 0.0 112.262 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.74 155.24 41.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.843 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.598 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.8 m -122.7 145.48 48.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -129.25 171.91 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.09 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.57 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 8.4 m80 -101.65 165.69 11.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 163.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.465 HG21 HG22 ' A' ' 43' ' ' VAL . 11.4 pt -76.68 -10.8 13.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 118.595 0.634 . . . . 0.0 110.434 178.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.57 12.39 16.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.842 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 9.2 m -110.46 32.11 5.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.526 -178.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.87 156.43 48.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.513 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -54.76 -58.48 14.18 Favored Pre-proline 0 CA--C 1.535 0.391 0 O-C-N 123.262 0.351 . . . . 0.0 111.531 -177.196 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 83.3 Cg_endo -84.52 65.1 6.72 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.009 1.806 . . . . 0.0 111.229 175.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.5 137.4 6.68 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.015 -174.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.67 156.73 24.92 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.4 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -98.05 -9.59 25.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.238 0.542 . . . . 0.0 109.957 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.02 171.89 14.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.753 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.465 HG22 HG21 ' A' ' 33' ' ' ILE . 43.6 t -86.75 119.18 71.1 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.258 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -58.02 104.12 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.878 2.386 . . . . 0.0 112.459 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -82.07 86.26 6.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.093 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.84 -144.98 15.78 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.971 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.43 128.54 33.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.716 0.293 . . . . 0.0 110.349 -178.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -131.71 148.88 52.62 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -126.01 135.01 51.3 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 3.1 p -67.86 153.57 94.99 Favored Pre-proline 0 C--O 1.238 0.464 0 CA-C-O 121.224 0.535 . . . . 0.0 111.043 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 6.1 Cg_exo -79.85 10.88 2.95 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.109 2.539 . . . . 0.0 111.874 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.606 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 7.0 mmt-85 -115.47 3.68 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.993 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.33 7.17 37.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.003 0.43 . . . . 0.0 109.854 175.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.53 93.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.028 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.05 137.24 84.71 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.564 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -66.97 -19.5 51.92 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.589 2.193 . . . . 0.0 111.951 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.41 148.12 22.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mp -78.06 104.93 8.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.783 0.325 . . . . 0.0 110.509 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -100.52 -40.99 7.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.595 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.54 -53.38 0.17 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.876 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.817 176.896 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.969 -0.453 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.82 77.39 2.29 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.754 2.303 . . . . 0.0 112.112 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.85 37.39 3.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.72 -176.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.82 -111.66 3.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.331 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.78 -66.33 0.91 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t0 48.65 -106.87 0.19 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.981 0.801 . . . . 0.0 111.135 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.581 ' HD2' ' H ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER 64.33 169.12 0.17 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.548 0.689 . . . . 0.0 112.3 176.435 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.581 ' H ' ' HD2' ' A' ' 7' ' ' HIS . 12.0 p80 -155.55 173.72 16.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.538 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttt -78.95 99.66 6.92 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.3 40.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.923 0.392 . . . . 0.0 111.34 -176.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 17' ' ' ASP . 45.7 p90 -168.81 154.93 6.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.285 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 30' ' ' SER . 76.9 m -61.18 146.35 47.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.265 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 28.0 mtt-85 -72.19 -17.62 61.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 174.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -109.53 -74.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.12 0.486 . . . . 0.0 110.669 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.58 12.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' N ' ' HB2' ' A' ' 12' ' ' CYS . 0.7 OUTLIER 40.81 32.14 0.15 Allowed 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 166.027 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 11' ' ' PHE . 7.1 p-10 -118.36 162.63 17.99 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.499 -174.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.684 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -124.55 -163.08 11.59 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.728 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.17 -108.82 2.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.705 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.03 68.81 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.684 HD22 ' HA2' ' A' ' 18' ' ' GLY . 1.2 tp -93.7 127.71 39.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.48 -171.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.407 HD13 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -96.75 116.77 29.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.119 175.333 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 6.7 m -100.36 156.29 17.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.061 -176.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.983 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 29.9 t -60.53 178.07 0.24 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.784 0.802 . . . . 0.0 111.983 178.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.451 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 3.1 t70 -110.01 -4.48 15.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.417 173.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -130.81 -52.53 1.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.09 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -87.07 163.72 39.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.622 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HB2' ' HA ' ' A' ' 8' ' ' HIS . 92.3 Cg_endo -89.18 9.33 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.29 1.994 . . . . 0.0 112.581 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.69 151.08 39.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.722 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -136.56 150.68 48.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.617 177.41 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 97.4 m-85 -142.4 -175.89 4.63 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.755 -174.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.816 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 18.5 m80 -77.38 -134.87 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 166.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 5.8 pt -122.59 8.94 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.796 167.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -154.61 16.61 0.45 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -172.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.816 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.5 m -67.27 -48.65 67.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.353 0.597 . . . . 0.0 110.843 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.575 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -65.16 167.88 7.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.889 -176.09 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -53.51 64.96 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.437 178.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.575 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 3.1 Cg_exo -78.33 65.79 8.46 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.277 1.984 . . . . 0.0 110.971 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.92 147.03 52.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.783 -174.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.598 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.3 mp -92.55 146.13 23.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.605 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -107.35 -1.63 21.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.675 0.75 . . . . 0.0 109.189 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.68 151.17 48.46 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.647 175.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 21.8 t -81.96 116.25 62.24 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.335 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.598 ' HG3' HD22 ' A' ' 40' ' ' LEU . 8.0 Cg_exo -76.06 107.73 2.53 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.925 2.417 . . . . 0.0 112.194 -175.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.02 138.96 31.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.586 177.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.62 -133.72 11.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.074 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.32 160.1 21.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.562 0.22 . . . . 0.0 110.693 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -162.42 161.06 27.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.968 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.983 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 10.6 pt20 -164.58 151.87 11.53 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.125 178.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.51 ' HB2' ' H ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -60.76 171.0 1.17 Allowed Pre-proline 0 CA--C 1.535 0.403 0 CA-C-O 121.2 0.524 . . . . 0.0 112.197 -176.746 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.553 ' HG3' HD13 ' A' ' 36' ' ' LEU . 66.4 Cg_endo -92.57 6.39 3.2 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.719 2.28 . . . . 0.0 110.4 172.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.51 ' H ' ' HB2' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -100.89 -10.3 20.78 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.619 -173.381 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -36.39 74.0 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.385 0.612 . . . . 0.0 109.78 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.0 p -134.42 -79.99 0.45 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.296 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.29 172.24 1.13 Allowed Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.02 -11.78 31.5 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.172 1.914 . . . . 0.0 112.004 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.14 -166.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.986 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.12 46.64 7.94 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.161 0.505 . . . . 0.0 111.139 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 37.13 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.541 0.686 . . . . 0.0 109.87 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.63 -37.61 2.0 Allowed Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.22 174.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 8.4 Cg_exo -72.71 112.51 3.51 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.854 2.369 . . . . 0.0 111.722 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.471 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -115.27 162.17 17.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.815 0.341 . . . . 0.0 110.638 -178.261 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.31 -82.35 0.47 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.009 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -130.44 66.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.087 0.47 . . . . 0.0 110.74 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.414 ' HB2' ' HB2' ' A' ' 2' ' ' PRO . 4.5 t70 -105.11 -50.94 3.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -106.43 129.83 54.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.282 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 64.63 70.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.341 0.591 . . . . 0.0 110.684 -176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.5 mtt -72.13 130.64 41.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.423 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.54 2.72 55.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.692 0.758 . . . . 0.0 109.364 175.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.918 ' HA ' ' HA3' ' A' ' 18' ' ' GLY . 14.3 p90 -125.93 170.92 11.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.746 -1.116 . . . . 0.0 108.867 174.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.653 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 2.3 m -72.49 126.69 30.47 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.171 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -65.83 -15.08 62.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.33 173.736 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.0 t -102.73 -69.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.603 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -79.62 -11.78 59.86 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -173.295 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 3.6 mmtt 75.48 -4.71 2.32 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.361 0.665 . . . . 0.0 112.094 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.761 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 2.0 m-20 -91.7 136.03 33.44 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.918 ' HA3' ' HA ' ' A' ' 11' ' ' PHE . . . -154.89 -145.2 4.11 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.91 -112.89 3.59 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.573 -177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -105.49 80.9 1.62 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.475 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.6 pt? -134.98 -175.91 4.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.07 -173.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 146.39 51.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 0.8 OUTLIER -155.47 148.61 24.67 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.271 -0.268 . . . . 0.0 110.703 -176.123 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -60.63 134.59 57.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.806 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.54 -30.31 16.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.262 0.553 . . . . 0.0 110.489 -176.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -107.18 9.29 30.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.729 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.16 144.21 25.21 Favored Pre-proline 0 N--CA 1.446 -0.669 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.971 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -87.2 72.98 3.02 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.22 1.947 . . . . 0.0 113.747 -171.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.623 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 75.3 m -152.87 172.95 15.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.082 177.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB3' HD21 ' A' ' 21' ' ' LEU . 15.9 m -134.26 145.26 48.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.308 175.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.653 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 28.6 m-85 -145.81 169.81 17.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 112.209 -175.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.898 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 54.9 m80 -116.64 175.68 5.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 168.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 pt -80.93 62.66 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.321 0.581 . . . . 0.0 110.469 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.65 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.47 -175.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.898 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -79.47 41.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.446 -171.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD12 ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -156.38 161.1 40.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 172.773 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -61.26 -58.31 19.73 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.532 -175.15 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.562 ' HG2' ' HB3' ' A' ' 51' ' ' PRO . 1.7 Cg_endo -81.2 58.15 6.82 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.351 2.034 . . . . 0.0 111.349 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 140.04 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.302 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.13 166.97 10.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.098 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -99.28 -24.83 14.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.249 0.547 . . . . 0.0 109.722 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.92 135.07 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.488 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.2 t -75.67 125.05 88.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.011 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' VAL . 7.1 Cg_exo -74.96 173.68 14.09 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.063 2.509 . . . . 0.0 112.318 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -80.68 -177.63 6.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.94 -40.37 97.15 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.916 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.88 84.77 2.82 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -130.42 143.72 50.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.943 -173.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -120.18 124.63 46.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.494 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 4.5 p -65.25 166.74 12.2 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.441 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.562 ' HB3' ' HG2' ' A' ' 38' ' ' PRO . 9.9 Cg_endo -51.39 -51.17 11.76 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.116 1.877 . . . . 0.0 110.0 172.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.527 ' HD2' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 178.64 34.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.298 169.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 45.54 53.42 8.45 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.5 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.25 66.81 8.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.024 -172.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -52.82 33.57 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.621 175.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -83.51 54.12 4.45 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.676 2.251 . . . . 0.0 111.11 174.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.34 -26.96 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.6 -175.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.37 78.07 2.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.422 . . . . 0.0 110.654 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -139.99 -17.54 0.94 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.814 -176.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.68 -100.27 1.19 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.39 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.27 173.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -70.02 110.59 2.65 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.826 2.35 . . . . 0.0 112.825 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.488 ' HG ' ' N ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -72.94 -34.59 66.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.661 175.854 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.488 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -87.23 67.31 3.36 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.99 -58.2 3.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.486 -0.357 . . . . 0.0 111.371 -174.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -147.73 96.0 2.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.896 0.379 . . . . 0.0 110.362 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.08 153.02 32.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.809 -176.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.42 -67.08 0.25 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.951 0.782 . . . . 0.0 111.023 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER 62.05 -168.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.665 177.046 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.98 -33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.543 -179.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.542 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 4.5 p90 -120.79 162.69 19.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -174.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.725 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 13.3 m -62.74 145.35 55.01 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.207 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HD3' ' OH ' ' A' ' 31' ' ' TYR . 1.7 mtp180 -70.13 -23.3 62.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.683 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 1.3 t -112.37 -65.05 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.24 0.543 . . . . 0.0 110.85 -178.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.72 6.0 9.93 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 11.3 mmtt 41.66 31.51 0.2 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 168.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.514 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 5.8 p-10 -98.42 153.28 18.69 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 122.336 -0.227 . . . . 0.0 110.495 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.36 -173.69 13.23 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.839 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.33 -110.25 3.82 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.156 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -81.48 68.6 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.132 0.491 . . . . 0.0 110.747 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 30' ' ' SER . 0.5 OUTLIER -132.27 164.42 26.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.162 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.03 146.09 28.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.995 0.426 . . . . 0.0 111.657 -173.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.38 150.09 42.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.53 175.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.697 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 13.3 t -58.98 161.9 4.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.456 0.646 . . . . 0.0 111.372 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.39 -35.93 58.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.308 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -102.13 -39.26 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.57 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.83 ' HB3' HH12 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -108.58 164.39 14.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.548 -174.483 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -89.74 4.17 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.414 2.076 . . . . 0.0 112.841 -176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.57 121.29 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.436 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.595 ' HB2' HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -111.3 136.72 50.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.198 -175.061 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.725 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 78.3 m-85 -143.97 -175.91 4.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.216 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.799 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 31.2 m80 -79.41 -114.15 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 168.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pt -133.8 9.73 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.816 170.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -155.77 18.9 0.39 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.799 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -87.16 -0.03 56.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.118 0.485 . . . . 0.0 110.925 -176.065 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.834 HD12 ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -117.45 -175.86 2.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.421 -176.83 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.913 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 1.8 mtm180 -58.05 -61.98 6.38 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.344 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.913 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 2.2 Cg_endo -79.96 95.47 1.02 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.221 1.947 . . . . 0.0 111.585 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.78 143.7 30.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.35 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -100.27 165.5 11.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.391 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -90.25 -40.81 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.229 0.538 . . . . 0.0 109.788 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -130.7 173.26 11.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.042 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.78 125.22 84.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -54.19 142.38 67.37 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.994 2.462 . . . . 0.0 112.871 -175.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.72 -38.35 6.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.079 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.77 -97.17 1.1 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.385 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -116.05 166.86 11.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.097 0.475 . . . . 0.0 111.293 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.413 ' HH2' ' HD2' ' A' ' 31' ' ' TYR . 65.3 t90 -159.25 137.16 10.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.789 176.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -137.74 143.19 41.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 -179.402 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 1.3 p -71.91 167.42 31.49 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.293 178.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -87.43 5.6 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.398 2.065 . . . . 0.0 112.357 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.83 HH12 ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -88.14 -16.08 34.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.467 -175.618 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.1 -16.23 20.6 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.223 0.535 . . . . 0.0 110.585 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.61 -29.53 30.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.96 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.437 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 81.5 m -68.46 -53.2 17.99 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.603 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 71.9 Cg_endo -72.92 147.7 44.27 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.65 1.567 . . . . 0.0 111.597 176.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.89 175.35 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.568 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.517 ' H ' ' HG ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.63 66.84 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.389 0.614 . . . . 0.0 110.363 178.671 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.85 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.728 -1.123 . . . . 0.0 108.76 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.84 -156.69 22.25 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.316 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HG3' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.201 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.946 177.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.3 -53.89 2.13 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 123.005 2.47 . . . . 0.0 112.157 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -50.59 9.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.374 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.89 99.35 1.14 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.899 177.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.34 126.78 54.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.598 0.237 . . . . 0.0 110.77 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.47 125.98 26.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.409 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.38 146.79 50.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.6 -178.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -58.64 -36.7 74.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.078 0.466 . . . . 0.0 110.582 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 mtm -128.72 72.99 1.47 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.567 175.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -77.07 5.11 8.72 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.03 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 3.0 p90 -137.2 162.02 34.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.072 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.724 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 7.6 m -64.5 131.33 46.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.537 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -60.09 -29.57 68.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.682 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.07 -66.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.503 0.668 . . . . 0.0 111.152 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.24 4.68 12.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -177.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER 50.0 16.88 0.26 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 166.333 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.479 ' OD1' ' SG ' ' A' ' 12' ' ' CYS . 6.8 p-10 -83.16 155.31 23.84 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 122.119 -0.363 . . . . 0.0 110.252 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.553 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -134.84 -165.0 10.69 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.288 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.33 -112.35 4.2 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.748 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -97.31 104.63 16.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.553 HD11 ' HA2' ' A' ' 18' ' ' GLY . 1.7 mp -122.16 174.09 7.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.145 0.498 . . . . 0.0 111.47 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 44' ' ' PRO . 14.6 tp -102.09 104.41 15.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.708 171.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 163.68 12.29 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.181 -171.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.842 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 33.7 t -69.01 -176.67 0.9 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.28 0.562 . . . . 0.0 110.559 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 12.9 t70 -108.91 -41.01 4.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.228 176.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -92.18 -26.71 18.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.406 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -119.71 155.82 54.36 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.503 -179.351 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -86.61 26.08 0.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.97 2.447 . . . . 0.0 112.52 -175.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.47 129.86 34.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.494 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 7.1 m -118.77 140.07 50.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 111.441 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.724 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 97.5 m-85 -141.64 -174.48 4.07 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.129 -177.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.757 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 39.1 m80 -82.24 -122.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 168.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.459 HG21 HG22 ' A' ' 43' ' ' VAL . 4.0 pt -134.09 14.14 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.07 169.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -153.99 14.77 0.47 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -172.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.757 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.2 m -78.82 -25.58 44.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.161 0.505 . . . . 0.0 110.493 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.529 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -95.51 178.93 5.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.615 -178.285 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.743 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 15.3 ttt180 -63.53 -54.39 43.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.388 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 3.2 Cg_exo -75.45 69.87 5.76 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.292 1.995 . . . . 0.0 111.553 177.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.96 144.56 54.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.652 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.24 164.77 12.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.368 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -93.5 -22.22 18.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.002 0.43 . . . . 0.0 110.236 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.8 172.74 12.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.913 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG22 HG21 ' A' ' 33' ' ' ILE . 10.3 t -77.78 119.49 77.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.195 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HG2' HD11 ' A' ' 22' ' ' LEU . 13.3 Cg_endo -57.06 147.08 77.34 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.926 2.417 . . . . 0.0 112.095 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -83.45 82.28 8.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.198 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.55 -63.17 3.06 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.248 -0.501 . . . . 0.0 113.306 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -66.16 110.25 2.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.935 0.398 . . . . 0.0 111.286 -177.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -174.73 146.59 0.97 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.007 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HG2' ' SG ' ' A' ' 24' ' ' CYS . 5.2 mt-30 -141.42 147.37 37.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.949 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.842 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 1.8 p -67.65 156.31 89.23 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.988 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.529 ' HG3' ' HB3' ' A' ' 36' ' ' LEU . 98.6 Cg_endo -81.18 23.19 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.509 2.139 . . . . 0.0 113.126 -176.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 52' ' ' ARG . 5.6 mtm180 -111.59 -21.69 11.6 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -84.35 -28.25 27.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.686 0.755 . . . . 0.0 109.334 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.86 127.23 31.17 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.125 179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 92.97 23.63 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -65.59 150.15 86.79 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.503 2.135 . . . . 0.0 112.537 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.88 -170.9 2.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.132 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.18 88.25 6.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 68.65 -72.92 0.09 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.167 -176.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.47 129.37 3.43 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.616 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.1 tttt . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.364 -179.633 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -67.71 -45.37 3.37 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.561 2.174 . . . . 0.0 112.053 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 6' ' ' ASP . 0.5 OUTLIER 70.24 -58.92 0.53 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.806 0.842 . . . . 0.0 111.968 178.319 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.58 94.23 1.83 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m 65.0 52.9 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -171.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.544 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 13.7 t70 -69.25 96.53 0.85 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.712 -176.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.43 103.64 8.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.811 -177.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -69.46 105.96 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.161 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.456 ' SD ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -92.52 118.65 31.21 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.832 -172.149 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.73 -21.74 25.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' SER . 5.3 p90 -116.57 -172.56 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.743 172.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -91.09 157.79 17.03 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.017 -177.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' HE3' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -70.36 -54.44 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.205 -175.55 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 18.1 t -77.76 -69.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.637 0.256 . . . . 0.0 111.573 -174.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -94.7 69.23 3.42 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.238 176.768 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' HE3' ' O ' ' A' ' 13' ' ' ARG . 1.5 mptt -37.38 75.72 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.35 1.86 . . . . 0.0 113.464 -174.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 t0 -155.43 177.2 11.63 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.192 -175.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.1 148.19 11.91 Favored Glycine 0 N--CA 1.448 -0.545 0 O-C-N 123.672 0.608 . . . . 0.0 112.688 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.76 -57.01 1.56 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 175.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.54 115.66 24.46 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 171.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' CB ' ' HB3' ' A' ' 30' ' ' SER . 1.7 mm? -103.29 -177.05 3.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.504 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -112.96 139.82 48.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 177.819 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 29' ' ' SER . 62.6 m -110.9 150.52 29.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.54 -169.53 1.05 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.542 0.687 . . . . 0.0 111.786 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -94.59 -8.62 37.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.665 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 p -118.22 -49.33 2.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.989 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.477 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -109.74 161.18 25.18 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.714 -172.393 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -86.05 24.01 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.059 2.506 . . . . 0.0 112.055 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.539 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -75.02 152.72 38.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.361 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 46.6 m -128.2 137.08 51.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.974 0.416 . . . . 0.0 110.448 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -132.48 169.79 16.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.727 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.768 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 30.4 m80 -86.4 -132.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 169.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.409 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 5.0 pt -127.73 7.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.759 0.314 . . . . 0.0 110.517 171.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -143.43 8.84 1.59 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.768 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.5 m -71.47 -33.56 69.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.39 0.614 . . . . 0.0 110.124 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.493 ' HG ' ' H ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -86.22 169.36 13.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.288 178.215 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -51.2 41.43 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.551 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 2.7 Cg_exo -76.23 72.22 5.47 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.27 1.98 . . . . 0.0 111.517 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.34 134.96 57.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 HD13 ' HG3' ' A' ' 44' ' ' PRO . 1.4 mp -92.54 154.53 18.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.307 -178.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -81.8 -38.72 25.12 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.98 158.86 28.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.74 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.22 127.16 90.63 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.398 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HG3' HD13 ' A' ' 40' ' ' LEU . 51.5 Cg_endo -78.02 63.29 8.16 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.69 2.26 . . . . 0.0 111.623 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -77.32 113.31 14.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.713 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 124.38 -117.54 3.11 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.927 -0.578 . . . . 0.0 112.039 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.76 123.06 27.9 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 122.287 0.235 . . . . 0.0 110.472 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -171.49 131.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.558 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.78 148.02 43.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -71.48 133.5 84.96 Favored Pre-proline 0 C--N 1.319 -0.727 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -170.729 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 96.4 Cg_endo -86.67 12.18 3.07 Favored 'Trans proline' 0 N--CA 1.446 -1.322 0 C-N-CA 122.963 2.442 . . . . 0.0 110.297 167.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -127.04 -70.69 0.71 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.858 -175.566 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.417 ' HB3' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -84.02 47.23 1.28 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.257 0.551 . . . . 0.0 111.324 -177.081 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -93.0 38.86 1.03 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.734 175.216 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.583 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 75.5 m 108.77 -65.75 0.0 OUTLIER Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 126.308 1.843 . . . . 0.0 110.85 -177.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.583 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 84.3 Cg_endo -84.81 64.88 6.47 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.957 1.771 . . . . 0.0 112.215 177.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.77 -48.68 78.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.06 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.46 -71.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.218 177.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -140.58 98.25 3.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.04 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.62 121.57 9.84 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.469 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.147 -0.93 . . . . 0.0 109.523 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -63.3 98.58 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.904 2.403 . . . . 0.0 111.906 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mp -89.77 151.7 21.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.194 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.843 ' HA2' ' HB3' ' A' ' 8' ' ' HIS . . . 97.62 34.74 5.41 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.809 -178.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -71.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.724 0.297 . . . . 0.0 111.344 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -128.38 -40.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.221 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -114.54 68.64 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.739 0.304 . . . . 0.0 110.859 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.843 ' HB3' ' HA2' ' A' ' 4' ' ' GLY . 19.6 t60 -176.99 108.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.756 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.06 91.87 3.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.415 -178.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.48 40.93 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.266 0.555 . . . . 0.0 110.536 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.808 ' HA ' HD21 ' A' ' 21' ' ' LEU . 37.2 p90 -166.04 167.54 16.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.853 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.581 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 62.3 m -62.69 138.55 58.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.061 0.458 . . . . 0.0 111.691 -176.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -68.3 -31.7 71.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.067 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 t -99.37 -67.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.317 0.58 . . . . 0.0 110.875 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.97 7.68 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 4.1 mttm 38.13 36.12 0.1 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 168.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.581 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.3 p-10 -113.46 173.16 6.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.642 0.258 . . . . 0.0 111.646 -173.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.771 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -135.26 -161.31 9.31 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.638 177.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.41 -105.59 3.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.849 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.82 70.93 5.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 11' ' ' PHE . 1.8 tp -109.95 142.58 41.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.151 -172.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.577 HD13 ' HG2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -112.5 136.25 52.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.987 176.646 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.18 141.21 52.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.943 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.853 ' HB3' ' HA ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -68.42 168.74 12.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.507 0.67 . . . . 0.0 111.718 -177.355 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -90.55 -10.5 43.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.684 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.23 -36.96 6.4 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.925 -169.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 1.037 ' HB3' ' HB3' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -137.57 157.21 74.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.052 179.238 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.13 59.85 5.45 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.608 2.205 . . . . 0.0 112.913 -174.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -119.56 167.1 12.32 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 16.4 m -146.83 150.47 35.35 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -176.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.87 ' HD1' ' HB2' ' A' ' 35' ' ' CYS . 93.5 m-85 -146.41 -178.29 6.08 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.872 -178.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.81 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 22.8 m80 -79.07 -116.77 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 166.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.446 HG22 ' HD2' ' A' ' 44' ' ' PRO . 16.1 pt -137.06 15.5 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.968 169.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -161.59 24.03 0.12 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -173.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.87 ' HB2' ' HD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -89.78 -19.96 24.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.702 0.763 . . . . 0.0 109.943 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.05 -142.27 0.3 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.619 -175.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.553 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -59.26 176.12 0.31 Allowed Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 123.316 0.646 . . . . 0.0 110.634 176.702 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 37' ' ' ARG . 61.9 Cg_exo -19.86 108.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.535 1 C-N-CA 125.318 4.012 . . . . 0.0 114.739 -179.095 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.79 138.79 4.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.409 -1.269 . . . . 0.0 112.947 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.45 130.22 34.96 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.62 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.33 -19.87 52.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.966 0.412 . . . . 0.0 110.632 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -127.74 151.92 48.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.231 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.04 120.83 70.26 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.577 ' HG2' HD13 ' A' ' 22' ' ' LEU . 9.4 Cg_endo -60.3 131.35 38.17 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.495 2.13 . . . . 0.0 112.332 -175.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -125.11 132.3 53.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.147 -178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.38 -153.91 16.91 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.745 -176.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.81 90.39 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.988 0.423 . . . . 0.0 110.712 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.488 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 79.5 t90 -97.93 148.82 23.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.521 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.853 ' HA ' ' HB3' ' A' ' 24' ' ' CYS . 21.3 mt-30 -137.97 137.5 38.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.545 0.212 . . . . 0.0 110.537 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -81.76 167.4 31.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.37 178.708 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -80.86 14.19 2.13 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.463 2.109 . . . . 0.0 112.525 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 4.1 mmt180 -113.34 -20.56 11.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.037 ' HB3' ' HB3' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -70.69 -56.2 6.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.647 177.363 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.06 62.06 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.623 175.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.52 114.99 62.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.759 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -81.18 45.89 2.11 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.789 2.326 . . . . 0.0 112.448 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.64 68.66 0.81 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.101 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.95 -33.78 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.884 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -129.26 -52.55 1.19 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.445 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.28 108.65 0.32 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.237 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.485 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.045 -0.978 . . . . 0.0 109.855 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.473 ' SD ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.526 0 CA-C-O 121.195 0.521 . . . . 0.0 111.008 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -90.46 27.6 1.67 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.065 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -150.15 174.32 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.285 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.791 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 1.7 m -69.68 131.09 44.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.053 -176.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HG2' ' SD ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -56.34 -42.19 77.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.224 178.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.34 -55.49 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.581 0.705 . . . . 0.0 111.747 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 24.1 3.74 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.565 -1.198 . . . . 0.0 114.232 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm 30.89 65.4 0.16 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.023 -0.989 . . . . 0.0 113.018 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.469 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -77.69 -170.03 1.7 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.113 -177.1 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.89 -35.86 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.228 -0.987 . . . . 0.0 113.282 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.69 -97.37 1.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.906 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.34 126.37 29.56 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.434 ' HG ' ' CB ' ' A' ' 30' ' ' SER . 0.2 OUTLIER -141.39 140.77 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.063 0.459 . . . . 0.0 111.603 -176.082 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.1 tp -118.49 115.87 25.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -113.24 163.74 14.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.468 -172.058 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -175.78 2.31 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.09 0.471 . . . . 0.0 111.161 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -114.57 19.93 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.483 0.659 . . . . 0.0 109.484 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -131.92 -55.38 0.99 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.054 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 162.72 19.6 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.793 -176.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -92.08 57.47 0.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 122.775 2.317 . . . . 0.0 112.964 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -124.29 149.09 46.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.187 176.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.655 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.8 m -124.93 144.36 50.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.848 -177.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.791 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 95.0 m-85 -137.72 -177.16 4.68 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.983 0.42 . . . . 0.0 111.174 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.691 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 43.8 m80 -83.55 -122.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 169.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.436 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 48.3 pt -132.22 8.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.518 168.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -153.33 22.89 0.55 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.691 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -75.92 -20.68 57.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.519 0.676 . . . . 0.0 111.056 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.72 HD13 ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -100.29 172.48 7.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.183 -178.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -61.56 -51.25 78.25 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.428 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.675 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 7.3 Cg_exo -71.93 68.78 3.09 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.208 1.939 . . . . 0.0 110.819 175.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.6 148.89 30.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.986 -171.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mp -117.44 151.24 37.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.54 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -107.42 -7.53 16.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.686 0.755 . . . . 0.0 109.051 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -105.52 151.35 24.4 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.712 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.89 117.52 68.87 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -70.56 98.17 0.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.632 2.221 . . . . 0.0 111.385 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -19.2 60.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.539 -174.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.94 -95.88 1.97 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.619 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -112.36 165.32 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.84 0.352 . . . . 0.0 110.803 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.456 ' HH2' ' CD2' ' A' ' 31' ' ' TYR . 90.1 t90 -170.88 138.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.658 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.69 162.9 33.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.342 0.591 . . . . 0.0 111.366 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.94 163.79 62.03 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.161 -178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.72 ' HD3' HD13 ' A' ' 36' ' ' LEU . 51.7 Cg_endo -67.02 -46.4 3.19 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 121.815 1.676 . . . . 0.0 110.104 171.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.792 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.456 173.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 11' ' ' PHE . 12.3 ptp . . . . . 0 C--O 1.235 0.313 0 CA-C-O 120.916 0.389 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -79.3 -18.63 52.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.145 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.519 ' O ' ' HG3' ' A' ' 9' ' ' MET . 35.2 p90 -93.97 -179.44 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.499 174.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.757 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -93.04 150.94 20.18 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.273 -175.36 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG2' ' SD ' ' A' ' 9' ' ' MET . 12.3 mtp180 -70.8 -42.12 70.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.094 -173.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.507 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 3.3 t -83.67 -80.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.169 -176.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -84.01 71.86 10.5 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 119.299 -0.382 . . . . 0.0 110.362 173.505 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -47.4 69.48 0.0 OUTLIER 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.868 1.667 . . . . 0.0 113.101 -172.147 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.8 t0 -127.53 173.3 9.97 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.547 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.715 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -100.51 -129.92 6.83 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 177.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.72 -143.8 25.93 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.705 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.29 109.34 15.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.805 0.336 . . . . 0.0 110.286 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.715 HD11 ' HA2' ' A' ' 18' ' ' GLY . 1.8 mt -123.11 143.63 49.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.399 -176.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.408 HD22 ' HD2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -117.99 154.97 31.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.055 174.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 152.88 40.37 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 121.357 -0.137 . . . . 0.0 110.832 -176.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -170.76 1.31 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.575 0.702 . . . . 0.0 111.871 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -90.16 -29.01 18.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.179 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.8 p -101.06 -58.7 1.83 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.988 -172.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -91.35 156.61 43.4 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.125 -171.54 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 4.9 Cg_endo -88.81 31.55 0.4 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.483 2.789 . . . . 0.0 111.99 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.02 149.11 21.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.21 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.757 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.5 m -115.29 147.17 40.75 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.883 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.471 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 68.1 m-85 -135.7 165.0 26.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.781 -175.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.704 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 61.7 m80 -94.87 -163.58 1.07 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 167.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.694 ' HB ' ' HB2' ' A' ' 40' ' ' LEU . 4.9 pt -108.04 20.97 4.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 119.984 -0.687 . . . . 0.0 111.09 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -145.38 12.84 1.37 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -79.36 -24.37 42.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.955 0.407 . . . . 0.0 111.114 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' H ' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -95.59 -179.04 4.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.396 -177.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.651 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 9.3 mmp_? -67.22 -55.56 15.29 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.157 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 4.1 Cg_exo -76.46 102.1 1.57 Allowed 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.293 1.995 . . . . 0.0 111.291 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.22 130.01 40.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.751 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.694 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 1.3 mp -93.52 139.07 31.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.974 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -100.66 -2.17 33.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.197 0.522 . . . . 0.0 109.994 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.3 136.52 21.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.641 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.73 120.43 75.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.21 0.528 . . . . 0.0 111.393 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HD2' HD22 ' A' ' 22' ' ' LEU . 97.3 Cg_endo -84.48 87.71 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.054 2.503 . . . . 0.0 112.604 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -99.06 97.4 8.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.993 0.425 . . . . 0.0 110.475 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 163.25 -104.41 0.23 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.997 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.3 89.15 3.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.055 0.455 . . . . 0.0 110.184 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -143.32 137.16 28.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.153 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.68 162.9 26.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.343 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -90.59 160.37 39.09 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.805 -168.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 93.4 Cg_endo -102.8 17.65 0.23 Allowed 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 123.746 2.964 . . . . 0.0 110.91 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.211 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -83.31 4.1 28.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.575 176.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.539 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 22.9 p90 -148.26 170.92 16.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.482 -177.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -87.07 122.89 31.52 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.217 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HD2' ' HE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -61.58 -10.43 8.14 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -173.009 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.52 -69.03 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.594 0.235 . . . . 0.0 111.246 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 13.7 p -89.7 -2.26 58.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.626 0.25 . . . . 0.0 111.404 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 67.05 11.36 8.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.24 0.616 . . . . 0.0 111.642 179.738 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.598 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -98.74 149.89 22.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.852 179.256 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' A' ' 11' ' ' PHE . . . -97.18 -159.02 31.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.84 176.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.15 -129.16 8.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.066 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.52 94.89 9.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.228 0.537 . . . . 0.0 110.052 177.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.4 HD21 ' HA2' ' A' ' 18' ' ' GLY . 5.2 mt -105.5 148.57 27.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.115 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 22' ' ' LEU . 1.5 mm? -99.95 126.71 46.14 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.179 174.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.3 m -89.28 137.86 31.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.749 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 45.6 m -53.34 162.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.921 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -88.34 -4.71 58.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.81 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.52 HG23 ' SG ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -155.32 -51.78 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.444 -178.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -75.32 168.98 22.73 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -176.147 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -98.3 45.75 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.779 2.319 . . . . 0.0 112.767 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.85 158.92 22.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.54 -177.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.558 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -128.11 129.49 46.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.798 176.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.422 ' HE1' ' HD2' ' A' ' 13' ' ' ARG . 63.9 m-85 -125.71 164.87 19.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.213 -175.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.54 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 7.8 m80 -99.33 152.07 20.35 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 168.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.409 HG12 ' H ' ' A' ' 33' ' ' ILE . 1.3 pt -58.44 -38.79 72.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 123.085 0.241 . . . . 0.0 111.609 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.445 ' HA ' ' HB1' ' A' ' 39' ' ' ALA . 4.4 p80 -103.16 15.12 30.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 34.0 m -103.75 2.79 33.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.145 0.497 . . . . 0.0 110.811 177.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mt -96.15 167.04 11.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.53 172.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.636 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 2.2 mtm180 -61.73 -54.14 54.24 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.742 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.636 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 1.8 Cg_endo -79.64 63.8 8.78 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.667 2.245 . . . . 0.0 110.506 172.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' A' ' 34' ' ' HIS . . . -53.69 135.85 40.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.254 -173.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.1 151.85 28.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.657 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -109.99 -1.29 17.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.086 0.47 . . . . 0.0 110.098 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -127.94 143.76 51.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.138 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -80.1 137.06 53.29 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.403 179.696 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HD2' HD11 ' A' ' 22' ' ' LEU . 37.8 Cg_exo -65.01 157.77 55.34 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.832 2.355 . . . . 0.0 111.891 -177.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.63 -43.4 55.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.01 -49.31 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.389 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.04 80.42 3.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.872 0.368 . . . . 0.0 111.311 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -111.46 146.27 37.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.42 134.15 41.3 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.72 117.59 63.6 Favored Pre-proline 0 N--CA 1.445 -0.699 0 CA-C-O 121.092 0.472 . . . . 0.0 112.122 -172.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.09 38.98 0.78 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.76 2.307 . . . . 0.0 111.399 174.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.713 -176.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.959 0.409 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -87.07 41.96 1.0 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.281 0.562 . . . . 0.0 110.163 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 55.4 p90 -168.4 164.45 12.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.355 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -78.64 122.56 26.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.474 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -70.77 17.0 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.2 t -103.19 -69.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.873 0.368 . . . . 0.0 110.496 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.731 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 10.4 p -89.49 -7.1 55.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.603 -176.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 74.13 2.08 4.06 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.433 0.693 . . . . 0.0 112.298 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.737 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -84.05 145.3 28.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.129 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 11' ' ' PHE . . . -143.36 53.28 0.61 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.162 -1.018 . . . . 0.0 113.583 -176.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.41 -67.59 1.63 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.738 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -117.98 104.07 10.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.438 HD11 ' HA2' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -98.66 118.05 34.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.516 -174.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 139.14 30.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.479 -0.782 . . . . 0.0 108.931 172.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.64 158.79 39.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.512 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.487 ' HB2' ' H ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -81.25 -155.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.527 0.68 . . . . 0.0 111.76 -176.677 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.487 ' H ' ' HB2' ' A' ' 24' ' ' CYS . 12.3 t70 -100.35 -37.84 8.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.708 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.73 -20.48 18.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.798 -168.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.566 ' HB3' HH22 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -134.48 160.36 68.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.176 178.029 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.87 33.96 0.44 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.855 2.37 . . . . 0.0 111.434 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.535 ' OG ' ' HB2' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -68.76 100.24 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.224 -176.189 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.659 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -79.4 115.19 18.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.317 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.634 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 24.4 m-85 -132.62 171.09 14.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.587 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.737 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 9.8 m170 -107.66 153.76 22.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 171.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.467 HG21 ' HA ' ' A' ' 43' ' ' VAL . 18.3 pt -67.17 -21.63 28.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -113.61 4.12 15.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 89.0 m -100.96 8.4 43.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.993 0.425 . . . . 0.0 111.833 -177.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 166.45 10.83 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.441 175.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.63 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -69.36 -54.72 10.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.208 174.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.63 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 2.5 Cg_endo -77.47 61.64 7.46 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.41 2.073 . . . . 0.0 110.515 172.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.45 152.69 44.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.72 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.635 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.6 mp -111.17 147.18 35.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.626 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -93.86 -0.39 55.77 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.869 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.85 167.53 21.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.514 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 15.0 p -90.18 119.57 69.24 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.351 0.596 . . . . 0.0 110.859 -178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.635 ' HG3' HD22 ' A' ' 40' ' ' LEU . 5.5 Cg_exo -77.73 108.85 2.63 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.966 2.444 . . . . 0.0 111.52 -177.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -105.78 9.02 33.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.056 0.455 . . . . 0.0 110.169 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.95 -91.06 2.1 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.171 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -123.86 142.66 50.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.598 0.237 . . . . 0.0 110.588 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -156.53 155.67 32.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.697 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -136.41 124.03 22.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.842 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.2 p -80.93 162.93 58.06 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.99 3.48 4.47 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.79 2.327 . . . . 0.0 111.899 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.72 HH11 ' HB3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.657 -178.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.8 tpt . . . . . 0 C--O 1.233 0.186 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.79 83.12 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.597 ' HA ' HD21 ' A' ' 21' ' ' LEU . 1.5 p90 -174.98 164.03 3.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.779 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 6.7 m -66.02 114.88 5.52 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HD2' ' OH ' ' A' ' 31' ' ' TYR . 36.0 mtt180 -60.5 -24.94 65.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.622 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.68 -66.6 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 111.22 -178.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.55 8.14 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG2' ' HE2' ' A' ' 11' ' ' PHE . 14.4 mttm 39.7 43.98 1.21 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 169.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.779 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.2 p-10 -117.32 167.12 11.52 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.758 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -142.46 -165.58 10.62 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.755 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.01 -112.93 4.47 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.999 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.76 63.38 5.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.595 0.712 . . . . 0.0 109.771 176.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.758 HD22 ' HA2' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -85.92 132.25 34.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.965 -175.468 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tp -85.46 109.3 18.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 161.0 18.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.098 -171.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 9.1 t -70.18 -160.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.106 174.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.555 ' HB3' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -130.89 -31.67 1.71 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.183 175.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.63 -15.91 18.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.317 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 6.0 p -138.24 164.81 37.8 Favored Pre-proline 0 N--CA 1.453 -0.299 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 27' ' ' CYS . 95.3 Cg_endo -83.75 1.47 8.86 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.508 2.138 . . . . 0.0 113.121 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -66.94 135.77 54.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.906 0.384 . . . . 0.0 110.301 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.748 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -132.29 162.31 31.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.925 -178.088 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.694 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 79.7 m-85 -143.89 -174.41 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.102 0.477 . . . . 0.0 112.009 -171.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.766 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 47.6 m80 -79.81 -135.86 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 166.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.51 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 47.5 pt -129.28 16.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 121.889 -0.507 . . . . 0.0 109.938 167.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -148.93 12.75 0.87 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.157 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.766 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.3 m -72.78 -43.35 62.9 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.934 -0.478 . . . . 0.0 111.62 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.23 179.9 6.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.553 -173.221 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -54.78 32.15 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.936 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 11.4 Cg_exo -69.83 94.62 0.54 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.143 1.895 . . . . 0.0 111.171 175.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.5 132.27 42.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.571 -174.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' HG ' ' HG3' ' A' ' 44' ' ' PRO . 1.5 mm? -92.56 96.63 10.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.167 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -73.7 -14.68 61.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.991 0.424 . . . . 0.0 110.629 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.85 160.5 39.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.088 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -66.64 116.94 39.66 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.883 0.373 . . . . 0.0 110.619 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.584 ' HG3' ' HG ' ' A' ' 40' ' ' LEU . 72.2 Cg_endo -80.93 77.86 3.88 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.854 2.369 . . . . 0.0 112.622 -176.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.83 133.12 47.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.242 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.19 -131.4 7.2 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.882 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.58 105.42 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.73 0.3 . . . . 0.0 110.378 177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -112.19 141.88 45.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.907 0.385 . . . . 0.0 110.132 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.555 ' NE2' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -130.68 141.01 50.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.043 179.673 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.624 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 11.9 p -66.4 167.25 13.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.624 ' HD2' ' HB2' ' A' ' 50' ' ' CYS . 39.9 Cg_endo -67.5 -3.88 10.94 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.824 2.35 . . . . 0.0 113.149 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.379 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 177.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -94.35 34.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.12 0.485 . . . . 0.0 110.842 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.632 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 49.8 p90 -161.06 160.99 31.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.465 177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -81.9 126.45 31.92 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -59.25 -18.93 41.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -171.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 35' ' ' CYS . 84.3 t -78.54 -67.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -177.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 9.5 p -91.09 -3.84 56.79 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.575 -174.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 69.11 1.89 3.39 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.158 0.583 . . . . 0.0 112.232 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.726 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -80.12 142.47 34.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.481 0.182 . . . . 0.0 110.622 179.049 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.632 ' HA2' ' HA ' ' A' ' 11' ' ' PHE . . . -104.5 -131.96 7.31 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.488 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.14 -141.38 16.24 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.551 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -99.63 104.0 15.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.28 169.64 9.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.843 -172.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 tp -108.45 107.1 17.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.825 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.81 154.1 22.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.021 0.438 . . . . 0.0 112.017 -171.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 49' ' ' GLN . 52.2 t -64.84 162.47 16.17 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.426 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -103.54 -10.63 18.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.532 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.7 p -106.59 -39.53 5.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -115.43 151.74 46.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.109 176.55 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 6.2 Cg_exo -83.05 36.2 0.61 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.76 2.306 . . . . 0.0 112.47 -176.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.65 120.08 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.098 0.475 . . . . 0.0 111.521 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.508 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -86.02 121.69 29.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.914 177.085 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.649 ' CD1' HD23 ' A' ' 36' ' ' LEU . 1.5 m-85 -131.89 173.21 11.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.07 0.462 . . . . 0.0 111.517 -173.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.531 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 10.3 m80 -117.78 150.99 38.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 171.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.692 HD13 ' N ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -57.79 -26.04 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.329 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -110.14 -3.96 16.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.65 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 89.4 m -98.06 44.22 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.052 0.453 . . . . 0.0 111.511 -178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD23 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -158.19 179.53 9.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.136 177.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.646 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 2.3 ttp180 -61.75 -56.42 32.69 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.605 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.646 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 98.8 Cg_endo -82.52 72.05 6.21 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.058 1.838 . . . . 0.0 112.12 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.33 129.0 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.636 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.44 HD13 ' HG3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -118.72 -170.69 1.95 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.282 -178.447 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -126.72 52.5 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.575 0.226 . . . . 0.0 111.082 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.692 ' N ' HD13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER 61.02 48.53 6.42 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.431 0.634 . . . . 0.0 110.073 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.659 ' H ' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -101.29 -59.38 0.1 Allowed Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.998 -173.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.659 ' HD2' ' H ' ' A' ' 43' ' ' VAL . 44.4 Cg_endo -66.48 157.55 59.98 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.309 2.673 . . . . 0.0 112.13 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -173.76 123.91 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.74 -62.42 4.39 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.825 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.94 61.83 7.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.979 0.418 . . . . 0.0 110.342 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -139.19 160.46 39.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.549 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.458 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 12.0 pt20 -157.1 153.94 28.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.666 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.402 ' C ' ' H ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -53.95 158.0 3.8 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-O 121.092 0.472 . . . . 0.0 111.368 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -78.92 18.45 1.01 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.239 1.96 . . . . 0.0 110.982 172.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.206 -175.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 ttt . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.777 0.322 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.52 25.05 10.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.294 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.448 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 16.4 p90 -162.98 168.83 20.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.377 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.645 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 16.2 m -67.75 123.71 21.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.694 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 13' ' ' ARG . 2.1 ptp180 -63.31 -14.39 49.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.42 -68.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.583 0.706 . . . . 0.0 110.562 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.5 10.75 3.55 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -177.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 42.87 39.81 1.88 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 167.059 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.645 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.3 p-10 -115.3 169.33 9.22 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.707 0.289 . . . . 0.0 111.31 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.719 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -136.59 -142.21 4.41 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.529 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.06 -119.31 4.91 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.978 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.44 97.12 9.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.719 HD11 ' HA2' ' A' ' 18' ' ' GLY . 3.0 mt -106.47 141.86 37.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.289 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.535 ' HB3' ' O ' ' A' ' 32' ' ' HIS . 1.3 tp -86.85 106.08 17.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 m -106.42 133.51 51.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.716 -173.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.43 155.85 34.19 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.138 0.494 . . . . 0.0 112.301 -177.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.501 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 9.1 t70 -93.01 -12.19 31.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.997 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.73 -17.77 21.89 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.243 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.25 159.48 30.98 Favored Pre-proline 0 N--CA 1.448 -0.572 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.507 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -89.09 58.51 2.23 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.474 2.116 . . . . 0.0 113.278 -175.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -113.55 164.26 13.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.376 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -133.04 140.71 47.85 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.683 0.278 . . . . 0.0 110.95 -177.306 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.595 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 97.2 m-85 -141.88 -179.71 6.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -177.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.704 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 25.6 m80 -78.85 -120.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 168.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.524 HG21 ' HB ' ' A' ' 43' ' ' VAL . 50.9 pt -136.21 14.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.925 167.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -162.67 19.12 0.09 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -174.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -70.27 -23.66 62.92 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.257 0.551 . . . . 0.0 110.672 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.736 HD13 ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -91.38 -178.77 5.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.607 -178.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.677 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 2.6 mtm180 -60.01 -54.57 54.06 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.536 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 4.9 Cg_exo -77.25 90.32 1.25 Allowed 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.089 1.859 . . . . 0.0 111.427 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.25 133.21 45.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.84 139.25 41.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.936 0.398 . . . . 0.0 110.549 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -91.28 -30.67 16.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.98 125.23 53.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.502 175.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.524 ' HB ' HG21 ' A' ' 33' ' ' ILE . 2.1 p -64.38 119.29 55.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -175.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.79 60.76 7.96 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.033 2.489 . . . . 0.0 111.797 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.4 124.27 19.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.435 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.32 -142.66 10.22 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.273 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -85.5 56.16 3.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.372 0.606 . . . . 0.0 110.103 177.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.404 ' CZ2' ' HD3' ' A' ' 51' ' ' PRO . 45.2 t90 -68.65 134.02 49.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.167 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.76 HE21 ' N ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -103.55 140.22 37.82 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -178.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.76 ' N ' HE21 ' A' ' 49' ' ' GLN . 0.0 OUTLIER -61.72 121.26 63.41 Favored Pre-proline 0 N--CA 1.447 -0.582 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -177.241 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.736 ' HG2' HD13 ' A' ' 36' ' ' LEU . 74.0 Cg_endo -91.27 17.03 1.45 Allowed 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 123.18 2.587 . . . . 0.0 110.457 167.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -173.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.762 ' HB2' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 121.173 0.511 . . . . 0.0 112.096 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.54 24.74 7.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.693 174.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -161.04 162.42 31.7 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.82 -177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.752 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -75.33 114.07 13.43 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HB3' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -62.01 -13.71 28.44 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.297 -173.71 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.77 -41.22 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.491 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 11.5 p -125.67 -7.46 6.81 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.733 -176.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 70.53 24.4 4.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.316 0.646 . . . . 0.0 111.721 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.876 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 8.2 t0 -107.25 160.29 15.71 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.76 0.314 . . . . 0.0 111.356 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.11 -168.33 21.39 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.645 174.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.74 -118.08 3.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.767 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -77.97 85.86 4.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 84.6 mt -105.45 109.31 21.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.152 -172.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.532 HD11 ' HD2' ' A' ' 44' ' ' PRO . 6.3 mt -78.38 121.2 24.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.18 171.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.14 128.8 35.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.776 0.322 . . . . 0.0 111.159 -176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 27' ' ' CYS . 18.9 m -47.71 145.85 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.876 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -81.2 -43.27 19.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.309 0.576 . . . . 0.0 110.377 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -100.54 -27.99 13.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.537 -175.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.409 ' H ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -109.94 170.28 5.51 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.196 -172.277 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -96.48 13.79 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.638 2.225 . . . . 0.0 112.21 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.762 ' HA ' ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -87.65 167.81 13.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.302 0.572 . . . . 0.0 111.92 -175.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.752 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -128.47 150.86 49.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.58 ' HE1' ' HD3' ' A' ' 52' ' ' ARG . 37.2 m-85 -135.62 157.38 47.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.855 0.36 . . . . 0.0 111.634 -173.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.876 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 5.4 m80 -98.73 145.35 27.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.509 HD13 HG22 ' A' ' 43' ' ' VAL . 1.7 pt -68.78 -10.67 13.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 7.18 10.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.106 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.665 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 15.2 m -103.32 5.51 37.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 110.792 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.34 172.94 6.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.053 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.79 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -72.07 -57.74 3.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.165 176.075 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.79 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 6.9 Cg_endo -83.25 82.62 2.06 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.341 2.027 . . . . 0.0 110.8 173.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.01 147.73 52.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.663 -173.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mp -108.66 143.24 38.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.557 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -95.9 1.2 52.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 110.264 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.15 159.56 41.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.539 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.509 HG22 HD13 ' A' ' 33' ' ' ILE . 3.3 t -99.88 110.63 59.84 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.618 0.247 . . . . 0.0 110.909 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HD2' HD11 ' A' ' 22' ' ' LEU . 14.3 Cg_exo -68.14 177.3 4.55 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.826 2.35 . . . . 0.0 111.605 177.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.77 -159.99 0.54 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.589 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.48 33.93 2.27 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.939 176.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.2 61.69 1.36 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 22' ' ' LEU . 61.7 t90 -137.13 134.76 36.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.568 -174.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.37 129.61 55.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.293 0.568 . . . . 0.0 110.28 177.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -69.16 136.29 89.22 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.335 -173.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.89 11.3 3.37 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.034 2.489 . . . . 0.0 111.646 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HD3' ' HE1' ' A' ' 31' ' ' TYR . 3.5 ttt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.587 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.086 0.469 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.509 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -89.71 37.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.927 -178.524 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -160.85 168.15 25.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.719 ' HB2' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -83.63 120.43 25.96 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -57.79 -26.23 61.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.411 -172.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.0 t -66.3 -73.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 8.5 p -83.46 -7.24 59.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.617 0.246 . . . . 0.0 111.433 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm 72.36 0.94 3.77 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.526 0.73 . . . . 0.0 112.074 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.651 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 2.8 t0 -79.82 149.93 30.86 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.755 0.312 . . . . 0.0 110.966 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.541 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -110.4 -117.49 3.83 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.211 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.79 -132.96 18.35 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.618 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -91.99 121.11 33.26 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.541 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -128.96 166.14 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.562 -174.279 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 116.23 31.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.291 -1.004 . . . . 0.0 108.291 172.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 m -91.34 153.71 19.72 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.392 -172.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 63.9 m -51.93 159.35 0.87 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.93 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -96.05 -9.78 30.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.422 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -118.33 -64.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.031 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.599 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -80.41 167.14 35.18 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.507 -177.014 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -93.69 31.05 0.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 122.887 2.392 . . . . 0.0 112.198 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.8 167.82 10.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.082 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.676 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 3.4 m -124.28 146.63 48.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.855 177.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.719 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 25.4 m-85 -137.32 168.12 20.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.09 0.471 . . . . 0.0 112.024 -174.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.601 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 21.2 m80 -115.77 153.67 31.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 170.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 pt -71.5 -20.48 21.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -106.58 0.23 24.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 74.7 m -100.31 17.35 21.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.963 0.411 . . . . 0.0 111.858 -176.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.18 170.37 8.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.783 175.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -68.5 -57.13 8.94 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.269 175.062 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HD3' ' CB ' ' A' ' 37' ' ' ARG . 3.6 Cg_exo -76.05 63.74 6.88 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.4 2.067 . . . . 0.0 110.814 174.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.24 148.15 37.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.608 -174.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.4 mp -120.34 157.25 29.63 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.012 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.54 -10.0 20.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.481 . . . . 0.0 109.89 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -132.91 167.97 19.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.744 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 3.7 t -95.24 121.9 61.0 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.549 ' HB2' ' HB2' ' A' ' 48' ' ' TRP . 5.7 Cg_exo -79.84 73.92 5.79 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.201 2.601 . . . . 0.0 111.563 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.02 117.11 13.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.545 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.13 -89.02 0.5 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.994 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -88.04 105.53 17.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.906 0.384 . . . . 0.0 111.571 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.549 ' HB2' ' HB2' ' A' ' 44' ' ' PRO . 60.5 t90 -167.13 130.55 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.617 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.85 128.3 51.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.76 130.8 94.64 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.854 -175.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.91 37.82 0.52 Allowed 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.872 2.382 . . . . 0.0 111.985 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.566 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.52 ' SD ' ' HA ' ' A' ' 29' ' ' SER . 16.7 ptm . . . . . 0 C--O 1.233 0.219 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -92.57 37.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.481 0.658 . . . . 0.0 110.435 -178.288 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 5.0 p90 -162.85 164.32 26.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.231 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.616 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.36 156.21 16.61 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.76 -175.276 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -74.43 -39.73 62.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -173.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.735 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 39.0 t -83.28 -82.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.661 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -82.41 76.04 9.3 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 118.91 -0.566 . . . . 0.0 110.237 172.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.616 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 4.8 mttt -49.01 64.79 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.836 1.654 . . . . 0.0 113.422 -171.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.547 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 4.3 t70 -119.78 166.6 13.04 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.512 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.601 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -96.72 -116.99 3.38 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.68 -131.44 21.45 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.093 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.06 104.1 16.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.601 HD11 ' HA2' ' A' ' 18' ' ' GLY . 34.9 mt -109.66 113.77 26.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.666 -175.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.438 HD13 ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -76.74 120.68 22.24 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 169.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.65 144.62 31.21 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.919 -174.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 29' ' ' SER . 26.5 m -56.35 155.38 7.04 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.575 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' HB3' ' OE1' ' A' ' 49' ' ' GLN . 39.1 t70 -71.2 -77.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -100.78 19.49 17.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.262 0.553 . . . . 0.0 110.953 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.543 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 1.6 t -128.61 145.98 58.29 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 86.7 Cg_endo -91.19 52.22 0.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.677 2.251 . . . . 0.0 113.016 -171.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.645 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 1.2 m -131.15 162.99 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.849 0.357 . . . . 0.0 111.075 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.535 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 m -137.54 145.16 42.58 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.31 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.545 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 96.9 m-85 -137.91 179.37 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.249 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.727 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 53.9 m80 -99.32 -141.37 0.32 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 pt -123.58 12.62 5.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.299 171.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.56 23.08 1.97 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.564 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.735 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . 1.6 m -89.03 -57.61 2.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.186 0.517 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.565 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -80.08 161.04 25.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.818 -176.618 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -57.57 -51.11 84.16 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.427 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.565 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 73.7 Cg_endo -73.9 64.39 4.99 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.799 1.666 . . . . 0.0 110.989 174.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 158.43 14.18 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.624 -173.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.516 ' HG ' ' CG ' ' A' ' 44' ' ' PRO . 1.9 mm? -105.38 127.42 52.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.075 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -82.11 -24.41 35.17 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -134.09 151.48 51.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.018 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 3.2 t -72.61 120.54 81.23 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.769 0.318 . . . . 0.0 111.049 -177.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.516 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 13.0 Cg_exo -71.95 145.52 45.36 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.095 2.53 . . . . 0.0 112.05 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -150.48 129.76 12.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.346 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.16 -90.52 0.35 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 78.62 1.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.895 0.378 . . . . 0.0 110.451 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -106.02 112.38 25.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.725 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' OE1' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -101.88 135.16 43.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -76.06 143.61 74.18 Favored Pre-proline 0 C--N 1.318 -0.796 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -171.258 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 97.5 Cg_endo -100.24 26.28 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.167 0 C-N-CA 123.55 2.833 . . . . 0.0 111.616 176.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.113 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.932 0.396 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -83.24 -21.52 33.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.393 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -101.3 160.44 14.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.752 176.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.821 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -71.99 143.32 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.915 -177.31 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 -67.58 -51.1 54.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.724 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 2.4 t -68.42 -75.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.78 30.65 0.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.642 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 20.1 mtpt 22.38 58.88 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.789 1.236 . . . . 0.0 113.923 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.879 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 28.4 t70 -150.8 158.36 44.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.721 -176.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 21' ' ' LEU . . . -110.75 -132.79 6.23 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.12 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.8 -82.81 1.18 Allowed Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.543 ' O ' ' HA ' ' A' ' 32' ' ' HIS . 1.3 tp10 -84.03 89.54 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -110.85 97.16 6.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.976 -0.557 . . . . 0.0 112.296 -169.368 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.624 HD11 ' HD2' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -83.15 154.69 24.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.969 169.768 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.42 130.39 47.64 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.981 -178.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.25 147.07 8.23 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 123.764 0.665 . . . . 0.0 111.026 176.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 49' ' ' GLN . 36.9 t70 -64.96 -68.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.611 -177.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.8 t -114.27 0.16 14.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.446 0.641 . . . . 0.0 110.835 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 165.13 14.7 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.601 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -97.12 26.84 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.834 2.356 . . . . 0.0 112.582 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.27 175.53 5.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.318 0.58 . . . . 0.0 111.019 -177.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.821 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 2.6 m -128.34 158.28 38.68 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.637 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 14.2 m-85 -140.54 173.27 11.66 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.133 -174.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.879 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 17.5 m80 -91.79 -152.82 0.31 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 168.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.448 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 20.8 pt -114.1 11.94 8.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 167.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.533 ' HA ' ' HB1' ' A' ' 39' ' ' ALA . 13.3 p-80 -150.33 24.45 0.81 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.688 -174.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.796 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 3.1 m -78.04 -30.01 49.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.098 0.475 . . . . 0.0 110.248 175.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.577 HD13 ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -99.91 172.83 6.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.196 -173.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.624 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 1.1 tpm_? -70.52 -53.06 10.3 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.993 177.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 4.5 Cg_exo -77.43 59.74 6.8 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.402 2.068 . . . . 0.0 111.136 175.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 34' ' ' HIS . . . -79.09 177.9 8.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.423 -175.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.587 HD13 ' HD3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -132.94 168.79 17.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.652 178.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.32 -14.95 15.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.296 0.57 . . . . 0.0 109.834 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -121.46 169.55 10.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.198 175.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.37 123.67 45.62 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-O 120.838 0.352 . . . . 0.0 110.219 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.624 ' HD2' HD11 ' A' ' 22' ' ' LEU . 18.3 Cg_endo -63.4 154.73 66.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.758 2.305 . . . . 0.0 112.089 -177.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -112.24 114.98 28.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.398 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.98 -114.69 4.1 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.56 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.73 149.78 25.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.855 0.36 . . . . 0.0 111.247 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -157.76 104.79 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.018 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.616 ' HA ' ' HB2' ' A' ' 25' ' ' ASP . 1.8 tm0? -86.47 110.42 19.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.9 112.55 6.96 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.674 -174.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.577 ' HG2' HD13 ' A' ' 36' ' ' LEU . 65.4 Cg_endo -76.98 52.43 3.79 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.717 2.278 . . . . 0.0 112.269 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.599 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.073 178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.653 ' HB3' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.828 0.347 . . . . 0.0 111.199 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.09 40.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.351 0.596 . . . . 0.0 110.021 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 21.8 p90 -157.99 165.67 34.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.365 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' A' ' 30' ' ' SER . 57.0 m -64.26 140.53 58.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.831 0.348 . . . . 0.0 111.459 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -24.97 59.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.217 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -104.38 -67.06 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.417 0.627 . . . . 0.0 110.848 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -77.79 -0.9 28.86 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 3.5 mttt 45.69 25.89 0.3 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 169.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' OD1' ' SG ' ' A' ' 12' ' ' CYS . 7.5 p-10 -93.77 159.69 15.09 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.762 0.315 . . . . 0.0 110.547 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.441 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -124.87 35.91 3.0 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.025 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.96 -115.03 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.875 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.8 105.64 3.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 175.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.65 ' HG ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -106.38 105.39 15.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.373 0.606 . . . . 0.0 112.141 -170.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.509 HD22 HG22 ' A' ' 33' ' ' ILE . 5.7 tp -101.13 115.87 31.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.71 173.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 29' ' ' SER . 1.7 m -112.46 149.87 32.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.08 -169.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.87 167.54 21.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.392 175.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -95.52 -23.92 16.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 0.0 110.676 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -81.22 -36.76 29.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.29 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 149.17 47.16 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.052 -175.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.82 35.49 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.975 2.45 . . . . 0.0 112.565 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.653 ' HA ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -104.38 164.15 11.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.5 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.65 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 1.1 m -133.61 152.55 51.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.384 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 80.9 m-85 -141.59 -176.77 4.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.437 . . . . 0.0 111.624 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.789 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 22.0 m80 -82.6 -144.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 165.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.509 HG22 HD22 ' A' ' 22' ' ' LEU . 7.3 pt -117.47 12.74 7.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.567 165.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.453 ' ND1' HG13 ' A' ' 33' ' ' ILE . 22.1 p-80 -157.39 24.33 0.29 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -173.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.789 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -71.79 -43.84 65.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.124 0.488 . . . . 0.0 111.126 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.515 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -82.81 169.07 16.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.787 -176.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.668 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 16.4 tpt180 -52.13 -53.11 55.72 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.196 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.668 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 6.6 Cg_exo -74.55 68.79 5.3 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.349 2.033 . . . . 0.0 111.634 178.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.74 141.2 55.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.524 -176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -97.01 155.38 16.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.248 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.76 15.7 21.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.483 0.658 . . . . 0.0 109.624 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -153.07 165.32 35.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.168 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.7 t -95.6 110.29 50.29 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.497 0.189 . . . . 0.0 110.549 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.75 93.96 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.003 2.469 . . . . 0.0 111.807 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -90.58 104.58 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.671 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 147.28 -77.43 0.25 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.6 111.44 7.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.948 0.404 . . . . 0.0 110.769 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -124.93 143.61 50.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.979 0.419 . . . . 0.0 110.815 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 50' ' ' CYS . 7.2 tp60 -139.66 133.14 30.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.786 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 49' ' ' GLN . 29.5 p -70.71 168.13 22.45 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.074 178.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.436 ' HD3' HD13 ' A' ' 36' ' ' LEU . 19.6 Cg_exo -59.92 -48.39 12.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.844 1.696 . . . . 0.0 110.171 172.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 114.237 -1.347 . . . . 0.0 108.193 173.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttm . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -101.97 25.89 8.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.134 0.492 . . . . 0.0 110.314 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' HA ' HD21 ' A' ' 21' ' ' LEU . 44.8 p90 -164.79 155.18 14.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.585 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.97 118.6 20.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.539 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' H ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -62.11 -17.6 58.24 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -172.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.418 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 88.0 t -67.79 -45.28 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.724 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 11.3 p -123.93 -0.92 8.4 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 72.67 -4.03 2.21 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.309 0.643 . . . . 0.0 112.177 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.724 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -84.32 147.57 27.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.582 0.229 . . . . 0.0 110.875 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.76 -151.54 14.96 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.704 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.31 -112.55 4.03 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.121 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.68 84.0 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.725 ' HG ' ' HB2' ' A' ' 30' ' ' SER . 0.0 OUTLIER -97.43 104.06 16.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.712 -173.122 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.466 HD13 ' HD2' ' A' ' 44' ' ' PRO . 4.1 tp -81.87 113.83 20.07 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.94 149.29 30.86 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.341 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -61.67 160.65 11.21 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 178.676 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.76 -78.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 111.561 -175.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 t -93.93 6.08 49.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.429 0.633 . . . . 0.0 110.568 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 4.8 t -111.9 135.23 21.23 Favored Pre-proline 0 N--CA 1.445 -0.681 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 90.2 Cg_endo -91.44 55.78 0.93 Allowed 'Trans proline' 0 C--N 1.329 -0.469 0 C-N-CA 123.303 2.669 . . . . 0.0 113.288 -169.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -128.28 127.07 42.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.123 0.487 . . . . 0.0 111.479 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.725 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -97.21 137.56 36.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.888 -177.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.651 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 51.1 m-85 -137.2 175.47 9.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.044 0.45 . . . . 0.0 111.107 -177.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.68 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 13.1 m80 -109.21 142.35 40.16 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 168.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.7 pt -58.13 -30.62 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.193 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -97.89 -0.27 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.62 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 15.5 m -94.63 -21.45 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.003 0.43 . . . . 0.0 110.621 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.11 155.76 38.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.186 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -55.96 -57.09 24.0 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.116 -179.428 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 40.6 Cg_endo -84.73 74.42 4.05 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 121.943 1.762 . . . . 0.0 110.676 173.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.8 128.69 18.73 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.204 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.546 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -99.93 137.9 37.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.125 179.252 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -86.95 -19.71 28.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.98 0.419 . . . . 0.0 110.523 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.46 150.61 50.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.851 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -71.74 120.13 78.23 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.448 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.546 ' HG3' HD22 ' A' ' 40' ' ' LEU . 52.6 Cg_exo -55.24 147.33 55.86 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.219 2.613 . . . . 0.0 112.941 -176.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.35 138.01 47.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.122 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.92 -108.82 2.61 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.593 173.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 133.19 37.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.569 0.223 . . . . 0.0 111.038 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.472 ' HE3' ' HA ' ' A' ' 24' ' ' CYS . 42.9 t90 -163.47 125.94 2.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.207 0.527 . . . . 0.0 110.769 174.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.453 HE21 ' HA ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -132.43 151.95 51.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.174 174.207 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 145.34 96.95 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-O 121.161 0.505 . . . . 0.0 112.258 -172.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.79 -25.71 7.5 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.691 2.261 . . . . 0.0 112.203 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.532 179.263 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.5 mtm . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.133 0.492 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.34 41.21 0.52 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.449 0.642 . . . . 0.0 110.351 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -152.79 167.1 30.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.791 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -71.08 117.21 12.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.686 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.606 ' NH2' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -83.29 20.7 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.401 0.62 . . . . 0.0 109.387 170.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.415 ' H ' ' C ' ' A' ' 12' ' ' CYS . 2.2 t -119.09 -53.13 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.669 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 7.3 p -113.16 -0.12 14.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.524 -176.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.61 12.39 8.67 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.364 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.651 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 8.1 t70 -79.59 137.71 37.22 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.918 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.516 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -126.27 28.26 4.85 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.304 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.71 -96.41 0.76 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -110.87 113.59 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.516 HD11 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -138.03 176.42 8.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.062 0.458 . . . . 0.0 110.835 -175.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.68 130.83 51.18 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -89.31 169.12 11.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.751 -171.192 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 17.9 t -76.87 -178.81 5.07 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.588 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.13 -11.92 12.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.582 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 -19.97 4.62 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.218 -174.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 18.7 p -128.97 155.19 80.07 Favored Pre-proline 0 C--N 1.328 -0.365 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.231 173.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -81.8 56.44 5.9 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.626 2.217 . . . . 0.0 112.262 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.74 155.24 41.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.843 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.598 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.8 m -122.7 145.48 48.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -129.25 171.91 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.09 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.57 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 8.4 m80 -101.65 165.69 11.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 163.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.465 HG21 HG22 ' A' ' 43' ' ' VAL . 11.4 pt -76.68 -10.8 13.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 118.595 0.634 . . . . 0.0 110.434 178.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.57 12.39 16.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.842 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 9.2 m -110.46 32.11 5.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.526 -178.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.87 156.43 48.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.513 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -54.76 -58.48 14.18 Favored Pre-proline 0 CA--C 1.535 0.391 0 O-C-N 123.262 0.351 . . . . 0.0 111.531 -177.196 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 83.3 Cg_endo -84.52 65.1 6.72 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.009 1.806 . . . . 0.0 111.229 175.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.5 137.4 6.68 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.015 -174.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.67 156.73 24.92 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.4 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -98.05 -9.59 25.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.238 0.542 . . . . 0.0 109.957 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.02 171.89 14.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.753 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.465 HG22 HG21 ' A' ' 33' ' ' ILE . 43.6 t -86.75 119.18 71.1 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.258 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -58.02 104.12 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.878 2.386 . . . . 0.0 112.459 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -82.07 86.26 6.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.093 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.84 -144.98 15.78 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.971 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.43 128.54 33.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.716 0.293 . . . . 0.0 110.349 -178.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -131.71 148.88 52.62 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -126.01 135.01 51.3 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 3.1 p -67.86 153.57 94.99 Favored Pre-proline 0 C--O 1.238 0.464 0 CA-C-O 121.224 0.535 . . . . 0.0 111.043 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 6.1 Cg_exo -79.85 10.88 2.95 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.109 2.539 . . . . 0.0 111.874 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.606 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 7.0 mmt-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.993 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.3 40.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.923 0.392 . . . . 0.0 111.34 -176.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 17' ' ' ASP . 45.7 p90 -168.81 154.93 6.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.285 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 30' ' ' SER . 76.9 m -61.18 146.35 47.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.265 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 28.0 mtt-85 -72.19 -17.62 61.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 174.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -109.53 -74.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.12 0.486 . . . . 0.0 110.669 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.58 12.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' N ' ' HB2' ' A' ' 12' ' ' CYS . 0.7 OUTLIER 40.81 32.14 0.15 Allowed 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 166.027 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 11' ' ' PHE . 7.1 p-10 -118.36 162.63 17.99 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.499 -174.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.684 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -124.55 -163.08 11.59 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.728 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.17 -108.82 2.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.705 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.03 68.81 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.684 HD22 ' HA2' ' A' ' 18' ' ' GLY . 1.2 tp -93.7 127.71 39.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.48 -171.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.407 HD13 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -96.75 116.77 29.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.119 175.333 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 6.7 m -100.36 156.29 17.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.061 -176.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.983 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 29.9 t -60.53 178.07 0.24 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.784 0.802 . . . . 0.0 111.983 178.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.451 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 3.1 t70 -110.01 -4.48 15.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.417 173.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -130.81 -52.53 1.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.09 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -87.07 163.72 39.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -89.18 9.33 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.29 1.994 . . . . 0.0 112.581 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.69 151.08 39.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.722 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -136.56 150.68 48.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.617 177.41 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 97.4 m-85 -142.4 -175.89 4.63 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.755 -174.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.816 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 18.5 m80 -77.38 -134.87 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 166.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.524 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 5.8 pt -122.59 8.94 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.796 167.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -154.61 16.61 0.45 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -172.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.816 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.5 m -67.27 -48.65 67.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.353 0.597 . . . . 0.0 110.843 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.575 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -65.16 167.88 7.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.889 -176.09 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -53.51 64.96 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.437 178.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.575 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 3.1 Cg_exo -78.33 65.79 8.46 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.277 1.984 . . . . 0.0 110.971 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.92 147.03 52.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.783 -174.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.598 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.3 mp -92.55 146.13 23.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.605 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -107.35 -1.63 21.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.675 0.75 . . . . 0.0 109.189 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.68 151.17 48.46 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.647 175.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 21.8 t -81.96 116.25 62.24 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.335 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.598 ' HG3' HD22 ' A' ' 40' ' ' LEU . 8.0 Cg_exo -76.06 107.73 2.53 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.925 2.417 . . . . 0.0 112.194 -175.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.02 138.96 31.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.586 177.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.62 -133.72 11.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.074 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.32 160.1 21.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.562 0.22 . . . . 0.0 110.693 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -162.42 161.06 27.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.968 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.983 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 10.6 pt20 -164.58 151.87 11.53 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.125 178.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.51 ' HB2' ' H ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -60.76 171.0 1.17 Allowed Pre-proline 0 CA--C 1.535 0.403 0 CA-C-O 121.2 0.524 . . . . 0.0 112.197 -176.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.553 ' HG3' HD13 ' A' ' 36' ' ' LEU . 66.4 Cg_endo -92.57 6.39 3.2 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.719 2.28 . . . . 0.0 110.4 172.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.51 ' H ' ' HB2' ' A' ' 50' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.619 -173.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.5 mtt . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.54 2.72 55.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.692 0.758 . . . . 0.0 109.364 175.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.918 ' HA ' ' HA3' ' A' ' 18' ' ' GLY . 14.3 p90 -125.93 170.92 11.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.746 -1.116 . . . . 0.0 108.867 174.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.653 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 2.3 m -72.49 126.69 30.47 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.171 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -65.83 -15.08 62.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.33 173.736 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.0 t -102.73 -69.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.603 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -79.62 -11.78 59.86 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -173.295 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 3.6 mmtt 75.48 -4.71 2.32 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.361 0.665 . . . . 0.0 112.094 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.761 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 2.0 m-20 -91.7 136.03 33.44 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.918 ' HA3' ' HA ' ' A' ' 11' ' ' PHE . . . -154.89 -145.2 4.11 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.91 -112.89 3.59 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.573 -177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -105.49 80.9 1.62 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.475 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.6 pt? -134.98 -175.91 4.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.07 -173.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 146.39 51.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 0.8 OUTLIER -155.47 148.61 24.67 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.271 -0.268 . . . . 0.0 110.703 -176.123 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -60.63 134.59 57.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.806 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.54 -30.31 16.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.262 0.553 . . . . 0.0 110.489 -176.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -107.18 9.29 30.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.729 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.16 144.21 25.21 Favored Pre-proline 0 N--CA 1.446 -0.669 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.971 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -87.2 72.98 3.02 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.22 1.947 . . . . 0.0 113.747 -171.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.623 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 75.3 m -152.87 172.95 15.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.082 177.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB3' HD21 ' A' ' 21' ' ' LEU . 15.9 m -134.26 145.26 48.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.308 175.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.653 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 28.6 m-85 -145.81 169.81 17.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 112.209 -175.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.898 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 54.9 m80 -116.64 175.68 5.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 168.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 pt -80.93 62.66 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.321 0.581 . . . . 0.0 110.469 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.65 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.47 -175.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.898 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -79.47 41.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.446 -171.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD12 ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -156.38 161.1 40.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 172.773 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -61.26 -58.31 19.73 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.532 -175.15 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.562 ' HG2' ' HB3' ' A' ' 51' ' ' PRO . 1.7 Cg_endo -81.2 58.15 6.82 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.351 2.034 . . . . 0.0 111.349 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 140.04 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.302 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.13 166.97 10.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.098 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -99.28 -24.83 14.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.249 0.547 . . . . 0.0 109.722 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.92 135.07 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.488 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.2 t -75.67 125.05 88.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.011 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' VAL . 7.1 Cg_exo -74.96 173.68 14.09 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.063 2.509 . . . . 0.0 112.318 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -80.68 -177.63 6.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.94 -40.37 97.15 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.916 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.88 84.77 2.82 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -130.42 143.72 50.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.943 -173.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -120.18 124.63 46.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.494 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 4.5 p -65.25 166.74 12.2 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.441 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.562 ' HB3' ' HG2' ' A' ' 38' ' ' PRO . 9.9 Cg_endo -51.39 -51.17 11.76 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.116 1.877 . . . . 0.0 110.0 172.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.527 ' HA ' ' HD2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.298 169.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.713 0.292 . . . . 0.0 111.665 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.98 -33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.543 -179.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.542 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 4.5 p90 -120.79 162.69 19.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -174.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.725 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 13.3 m -62.74 145.35 55.01 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.207 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HD3' ' OH ' ' A' ' 31' ' ' TYR . 1.7 mtp180 -70.13 -23.3 62.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.683 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 1.3 t -112.37 -65.05 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.24 0.543 . . . . 0.0 110.85 -178.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.72 6.0 9.93 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 11.3 mmtt 41.66 31.51 0.2 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 168.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.514 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 5.8 p-10 -98.42 153.28 18.69 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 122.336 -0.227 . . . . 0.0 110.495 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.36 -173.69 13.23 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.839 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.33 -110.25 3.82 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.156 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -81.48 68.6 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.132 0.491 . . . . 0.0 110.747 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 30' ' ' SER . 0.5 OUTLIER -132.27 164.42 26.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.162 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.03 146.09 28.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.995 0.426 . . . . 0.0 111.657 -173.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.38 150.09 42.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.53 175.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.697 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 13.3 t -58.98 161.9 4.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.456 0.646 . . . . 0.0 111.372 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.39 -35.93 58.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.308 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -102.13 -39.26 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.57 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.83 ' HB3' HH12 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -108.58 164.39 14.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.548 -174.483 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -89.74 4.17 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.414 2.076 . . . . 0.0 112.841 -176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.57 121.29 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.436 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.595 ' HB2' HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -111.3 136.72 50.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.198 -175.061 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.725 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 78.3 m-85 -143.97 -175.91 4.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.216 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.799 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 31.2 m80 -79.41 -114.15 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 168.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pt -133.8 9.73 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.816 170.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -155.77 18.9 0.39 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.799 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -87.16 -0.03 56.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.118 0.485 . . . . 0.0 110.925 -176.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.834 HD12 ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -117.45 -175.86 2.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.421 -176.83 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.913 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 1.8 mtm180 -58.05 -61.98 6.38 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.344 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.913 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 2.2 Cg_endo -79.96 95.47 1.02 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.221 1.947 . . . . 0.0 111.585 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.78 143.7 30.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.35 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -100.27 165.5 11.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.391 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -90.25 -40.81 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.229 0.538 . . . . 0.0 109.788 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -130.7 173.26 11.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.042 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.78 125.22 84.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -54.19 142.38 67.37 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.994 2.462 . . . . 0.0 112.871 -175.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.72 -38.35 6.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.079 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.77 -97.17 1.1 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.385 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -116.05 166.86 11.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.097 0.475 . . . . 0.0 111.293 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.413 ' HH2' ' HD2' ' A' ' 31' ' ' TYR . 65.3 t90 -159.25 137.16 10.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.789 176.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -137.74 143.19 41.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 -179.402 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 1.3 p -71.91 167.42 31.49 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.293 178.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -87.43 5.6 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.398 2.065 . . . . 0.0 112.357 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.83 HH12 ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.467 -175.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 mtm . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -77.07 5.11 8.72 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.03 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.536 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 3.0 p90 -137.2 162.02 34.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.072 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.724 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 7.6 m -64.5 131.33 46.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.537 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -60.09 -29.57 68.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.682 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.07 -66.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.503 0.668 . . . . 0.0 111.152 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.24 4.68 12.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -177.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER 50.0 16.88 0.26 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 166.333 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.479 ' OD1' ' SG ' ' A' ' 12' ' ' CYS . 6.8 p-10 -83.16 155.31 23.84 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 122.119 -0.363 . . . . 0.0 110.252 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.553 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -134.84 -165.0 10.69 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.288 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.33 -112.35 4.2 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.748 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -97.31 104.63 16.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.553 HD11 ' HA2' ' A' ' 18' ' ' GLY . 1.7 mp -122.16 174.09 7.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.145 0.498 . . . . 0.0 111.47 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 44' ' ' PRO . 14.6 tp -102.09 104.41 15.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.708 171.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 163.68 12.29 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.181 -171.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.842 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 33.7 t -69.01 -176.67 0.9 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.28 0.562 . . . . 0.0 110.559 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 12.9 t70 -108.91 -41.01 4.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.228 176.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -92.18 -26.71 18.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.406 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -119.71 155.82 54.36 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.503 -179.351 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -86.61 26.08 0.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.97 2.447 . . . . 0.0 112.52 -175.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.47 129.86 34.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.494 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 7.1 m -118.77 140.07 50.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 111.441 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.724 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 97.5 m-85 -141.64 -174.48 4.07 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.129 -177.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.757 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 39.1 m80 -82.24 -122.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 168.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.459 HG21 HG22 ' A' ' 43' ' ' VAL . 4.0 pt -134.09 14.14 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.07 169.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -153.99 14.77 0.47 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -172.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.757 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.2 m -78.82 -25.58 44.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.161 0.505 . . . . 0.0 110.493 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.529 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -95.51 178.93 5.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.615 -178.285 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.743 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 15.3 ttt180 -63.53 -54.39 43.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.388 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 3.2 Cg_exo -75.45 69.87 5.76 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.292 1.995 . . . . 0.0 111.553 177.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.96 144.56 54.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.652 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.24 164.77 12.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.368 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -93.5 -22.22 18.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.002 0.43 . . . . 0.0 110.236 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.8 172.74 12.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.913 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG22 HG21 ' A' ' 33' ' ' ILE . 10.3 t -77.78 119.49 77.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.195 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HG2' HD11 ' A' ' 22' ' ' LEU . 13.3 Cg_endo -57.06 147.08 77.34 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.926 2.417 . . . . 0.0 112.095 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -83.45 82.28 8.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.198 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.55 -63.17 3.06 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.248 -0.501 . . . . 0.0 113.306 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -66.16 110.25 2.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.935 0.398 . . . . 0.0 111.286 -177.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -174.73 146.59 0.97 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.007 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HG2' ' SG ' ' A' ' 24' ' ' CYS . 5.2 mt-30 -141.42 147.37 37.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.949 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.842 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 1.8 p -67.65 156.31 89.23 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.988 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.529 ' HG3' ' HB3' ' A' ' 36' ' ' LEU . 98.6 Cg_endo -81.18 23.19 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.509 2.139 . . . . 0.0 113.126 -176.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 52' ' ' ARG . 5.6 mtm180 . . . . . 0 C--N 1.326 -0.433 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.456 ' SD ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER . . . . . 0 N--CA 1.449 -0.497 0 CA-C-O 120.835 0.35 . . . . 0.0 111.832 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.73 -21.74 25.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' SER . 5.3 p90 -116.57 -172.56 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.743 172.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -91.09 157.79 17.03 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.017 -177.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' HE3' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -70.36 -54.44 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.205 -175.55 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 18.1 t -77.76 -69.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.637 0.256 . . . . 0.0 111.573 -174.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -94.7 69.23 3.42 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.238 176.768 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.515 ' HE3' ' O ' ' A' ' 13' ' ' ARG . 1.5 mptt -37.38 75.72 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.35 1.86 . . . . 0.0 113.464 -174.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 t0 -155.43 177.2 11.63 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.192 -175.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.1 148.19 11.91 Favored Glycine 0 N--CA 1.448 -0.545 0 O-C-N 123.672 0.608 . . . . 0.0 112.688 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.76 -57.01 1.56 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 175.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.54 115.66 24.46 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 171.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.493 ' CB ' ' HB3' ' A' ' 30' ' ' SER . 1.7 mm? -103.29 -177.05 3.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.504 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -112.96 139.82 48.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 177.819 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 29' ' ' SER . 62.6 m -110.9 150.52 29.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.54 -169.53 1.05 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.542 0.687 . . . . 0.0 111.786 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -94.59 -8.62 37.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.665 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 p -118.22 -49.33 2.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.989 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.477 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -109.74 161.18 25.18 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.714 -172.393 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -86.05 24.01 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.059 2.506 . . . . 0.0 112.055 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.539 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -75.02 152.72 38.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.361 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 46.6 m -128.2 137.08 51.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.974 0.416 . . . . 0.0 110.448 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -132.48 169.79 16.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.727 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.768 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 30.4 m80 -86.4 -132.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 169.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.409 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 5.0 pt -127.73 7.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.759 0.314 . . . . 0.0 110.517 171.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -143.43 8.84 1.59 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.768 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.5 m -71.47 -33.56 69.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.39 0.614 . . . . 0.0 110.124 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.493 ' HG ' ' H ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -86.22 169.36 13.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.288 178.215 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -51.2 41.43 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.551 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 2.7 Cg_exo -76.23 72.22 5.47 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.27 1.98 . . . . 0.0 111.517 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.34 134.96 57.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 HD13 ' HG3' ' A' ' 44' ' ' PRO . 1.4 mp -92.54 154.53 18.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.307 -178.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -81.8 -38.72 25.12 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.98 158.86 28.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.74 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.22 127.16 90.63 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.398 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HG3' HD13 ' A' ' 40' ' ' LEU . 51.5 Cg_endo -78.02 63.29 8.16 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.69 2.26 . . . . 0.0 111.623 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -77.32 113.31 14.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.713 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 124.38 -117.54 3.11 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.927 -0.578 . . . . 0.0 112.039 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.76 123.06 27.9 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 122.287 0.235 . . . . 0.0 110.472 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -171.49 131.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.558 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.78 148.02 43.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -71.48 133.5 84.96 Favored Pre-proline 0 C--N 1.319 -0.727 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -170.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 96.4 Cg_endo -86.67 12.18 3.07 Favored 'Trans proline' 0 N--CA 1.446 -1.322 0 C-N-CA 122.963 2.442 . . . . 0.0 110.297 167.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 52' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.196 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.858 -175.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.791 0.329 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.48 40.93 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.266 0.555 . . . . 0.0 110.536 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.808 ' HA ' HD21 ' A' ' 21' ' ' LEU . 37.2 p90 -166.04 167.54 16.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.853 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.581 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 62.3 m -62.69 138.55 58.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.061 0.458 . . . . 0.0 111.691 -176.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -68.3 -31.7 71.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.067 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 t -99.37 -67.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.317 0.58 . . . . 0.0 110.875 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.97 7.68 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 4.1 mttm 38.13 36.12 0.1 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 168.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.581 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.3 p-10 -113.46 173.16 6.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.642 0.258 . . . . 0.0 111.646 -173.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.771 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -135.26 -161.31 9.31 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.638 177.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.41 -105.59 3.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.849 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.82 70.93 5.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 11' ' ' PHE . 1.8 tp -109.95 142.58 41.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.151 -172.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.577 HD13 ' HG2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -112.5 136.25 52.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.987 176.646 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.18 141.21 52.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.943 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.853 ' HB3' ' HA ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -68.42 168.74 12.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.507 0.67 . . . . 0.0 111.718 -177.355 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -90.55 -10.5 43.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.684 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.23 -36.96 6.4 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.925 -169.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.57 157.21 74.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.052 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -85.13 59.85 5.45 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.608 2.205 . . . . 0.0 112.913 -174.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -119.56 167.1 12.32 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 16.4 m -146.83 150.47 35.35 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -176.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.87 ' HD1' ' HB2' ' A' ' 35' ' ' CYS . 93.5 m-85 -146.41 -178.29 6.08 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.872 -178.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.81 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 22.8 m80 -79.07 -116.77 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 166.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.446 HG22 ' HD2' ' A' ' 44' ' ' PRO . 16.1 pt -137.06 15.5 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.968 169.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -161.59 24.03 0.12 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -173.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.87 ' HB2' ' HD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -89.78 -19.96 24.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.702 0.763 . . . . 0.0 109.943 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.05 -142.27 0.3 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.619 -175.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.553 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -59.26 176.12 0.31 Allowed Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 123.316 0.646 . . . . 0.0 110.634 176.702 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 37' ' ' ARG . 61.9 Cg_exo -19.86 108.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.535 1 C-N-CA 125.318 4.012 . . . . 0.0 114.739 -179.095 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.79 138.79 4.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.409 -1.269 . . . . 0.0 112.947 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.45 130.22 34.96 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.62 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.33 -19.87 52.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.966 0.412 . . . . 0.0 110.632 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -127.74 151.92 48.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.231 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.04 120.83 70.26 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.577 ' HG2' HD13 ' A' ' 22' ' ' LEU . 9.4 Cg_endo -60.3 131.35 38.17 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.495 2.13 . . . . 0.0 112.332 -175.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -125.11 132.3 53.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.147 -178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.38 -153.91 16.91 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.745 -176.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.81 90.39 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.988 0.423 . . . . 0.0 110.712 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.488 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 79.5 t90 -97.93 148.82 23.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.521 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.853 ' HA ' ' HB3' ' A' ' 24' ' ' CYS . 21.3 mt-30 -137.97 137.5 38.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.545 0.212 . . . . 0.0 110.537 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -81.76 167.4 31.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.37 178.708 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -80.86 14.19 2.13 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.463 2.109 . . . . 0.0 112.525 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 4.1 mmt180 . . . . . 0 C--N 1.327 -0.377 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.951 -0.459 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.74 -74.3 0.02 OUTLIER 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.859 2.372 . . . . 0.0 112.641 -178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.17 73.3 10.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.037 0.446 . . . . 0.0 110.357 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.81 -136.38 24.27 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.394 -175.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -97.55 -7.49 31.18 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 176.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 5' ' ' SER . 18.3 t70 70.75 -58.38 0.56 Allowed 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.892 0.745 . . . . 0.0 110.675 -176.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.511 ' CE1' ' HB3' ' A' ' 53' ' ' CYS . 1.2 t60 -81.69 64.53 6.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.418 0.628 . . . . 0.0 110.746 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 -173.6 104.55 0.12 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.219 -0.9 . . . . 0.0 108.96 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.473 ' SD ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -157.35 137.65 12.79 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.195 0.521 . . . . 0.0 111.008 -176.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -90.46 27.6 1.67 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.065 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -150.15 174.32 12.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.285 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.791 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 1.7 m -69.68 131.09 44.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.053 -176.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HG2' ' SD ' ' A' ' 9' ' ' MET . 0.1 OUTLIER -56.34 -42.19 77.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.224 178.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.34 -55.49 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.581 0.705 . . . . 0.0 111.747 -173.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 24.1 3.74 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.565 -1.198 . . . . 0.0 114.232 -172.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm 30.89 65.4 0.16 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.023 -0.989 . . . . 0.0 113.018 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.469 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 0.4 OUTLIER -77.69 -170.03 1.7 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.113 -177.1 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -166.89 -35.86 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.228 -0.987 . . . . 0.0 113.282 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.69 -97.37 1.65 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.906 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -69.34 126.37 29.56 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.434 ' HG ' ' CB ' ' A' ' 30' ' ' SER . 0.2 OUTLIER -141.39 140.77 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.063 0.459 . . . . 0.0 111.603 -176.082 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.1 tp -118.49 115.87 25.51 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -113.24 163.74 14.42 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.468 -172.058 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -175.78 2.31 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.09 0.471 . . . . 0.0 111.161 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -114.57 19.93 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.483 0.659 . . . . 0.0 109.484 175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.7 p -131.92 -55.38 0.99 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.054 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 162.72 19.6 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.793 -176.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -92.08 57.47 0.77 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 122.775 2.317 . . . . 0.0 112.964 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 23' ' ' CYS . 0.7 OUTLIER -124.29 149.09 46.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.187 176.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.655 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.8 m -124.93 144.36 50.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.848 -177.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.791 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 95.0 m-85 -137.72 -177.16 4.68 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.983 0.42 . . . . 0.0 111.174 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.691 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 43.8 m80 -83.55 -122.96 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 169.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.436 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 48.3 pt -132.22 8.0 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.518 168.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -153.33 22.89 0.55 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -174.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.691 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -75.92 -20.68 57.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.519 0.676 . . . . 0.0 111.056 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.72 HD13 ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -100.29 172.48 7.13 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.183 -178.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.843 ' HB2' ' HB2' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -61.56 -51.25 78.25 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.428 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.675 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 7.3 Cg_exo -71.93 68.78 3.09 Favored 'Trans proline' 0 C--N 1.361 1.205 0 C-N-CA 122.208 1.939 . . . . 0.0 110.819 175.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.6 148.89 30.09 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.986 -171.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mp -117.44 151.24 37.47 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.54 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -107.42 -7.53 16.59 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.686 0.755 . . . . 0.0 109.051 173.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -105.52 151.35 24.4 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.712 177.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.89 117.52 68.87 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -70.56 98.17 0.75 Allowed 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.632 2.221 . . . . 0.0 111.385 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -19.2 60.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.539 -174.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.94 -95.88 1.97 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.619 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -112.36 165.32 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.84 0.352 . . . . 0.0 110.803 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' HH2' ' CD2' ' A' ' 31' ' ' TYR . 90.1 t90 -170.88 138.49 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.658 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.69 162.9 33.99 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.342 0.591 . . . . 0.0 111.366 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.659 ' HB2' ' H ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -70.94 163.79 62.03 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.728 -1.124 . . . . 0.0 111.161 -178.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.72 ' HD3' HD13 ' A' ' 36' ' ' LEU . 51.7 Cg_endo -67.02 -46.4 3.19 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 121.815 1.676 . . . . 0.0 110.104 171.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.698 ' HB3' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -167.16 19.64 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.3 -1.318 . . . . 0.0 108.456 173.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.659 ' H ' ' HB2' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 49.29 39.33 15.69 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.57 -174.411 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.698 HG22 ' HB3' ' A' ' 52' ' ' ARG . 10.0 t -163.11 -160.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.509 -178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 117.91 19.62 Favored Pre-proline 0 CA--C 1.531 0.219 0 CA-C-O 120.601 0.239 . . . . 0.0 110.498 178.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.843 ' HB2' ' HB2' ' A' ' 37' ' ' ARG . 74.3 Cg_endo -80.7 47.99 2.74 Favored 'Trans proline' 0 CA--C 1.529 0.273 0 C-N-CA 122.568 2.179 . . . . 0.0 113.375 -173.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.85 -19.55 19.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.016 0.436 . . . . 0.0 110.313 175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.43 172.49 9.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.448 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -84.98 112.74 20.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.368 178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.23 -32.98 11.1 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.618 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.604 -0.712 . . . . 0.0 110.353 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 112.186 -0.366 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.69 -61.53 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.847 2.365 . . . . 0.0 112.175 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.1 mt -124.27 155.43 38.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.898 177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.81 -1.52 41.75 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.901 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.52 -17.09 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.54 0.686 . . . . 0.0 109.7 177.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -114.26 59.11 0.68 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.333 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.451 ' NE2' ' HB3' ' A' ' 27' ' ' CYS . 7.4 t60 -95.42 -45.67 7.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.145 -176.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.464 ' HB3' ' HG2' ' A' ' 28' ' ' PRO . 17.8 p-80 -80.39 136.65 36.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.513 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 11' ' ' PHE . 12.3 ptp -166.86 141.0 3.91 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -178.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -79.3 -18.63 52.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.145 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.519 ' O ' ' HG3' ' A' ' 9' ' ' MET . 35.2 p90 -93.97 -179.44 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.499 174.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.757 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -93.04 150.94 20.18 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.273 -175.36 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.742 HH11 ' HB3' ' A' ' 53' ' ' CYS . 12.3 mtp180 -70.8 -42.12 70.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.094 -173.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.507 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 3.3 t -83.67 -80.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.169 -176.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -84.01 71.86 10.5 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 119.299 -0.382 . . . . 0.0 110.362 173.505 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.588 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -47.4 69.48 0.0 OUTLIER 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.868 1.667 . . . . 0.0 113.101 -172.147 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.8 t0 -127.53 173.3 9.97 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.023 -1.444 . . . . 0.0 109.547 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.715 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -100.51 -129.92 6.83 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 177.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.72 -143.8 25.93 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.705 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -81.29 109.34 15.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.805 0.336 . . . . 0.0 110.286 178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.715 HD11 ' HA2' ' A' ' 18' ' ' GLY . 1.8 mt -123.11 143.63 49.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.399 -176.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD22 ' HD2' ' A' ' 44' ' ' PRO . 0.3 OUTLIER -117.99 154.97 31.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.055 174.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.91 152.88 40.37 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 121.357 -0.137 . . . . 0.0 110.832 -176.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -170.76 1.31 Allowed 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.575 0.702 . . . . 0.0 111.871 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -90.16 -29.01 18.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.179 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.441 ' HB ' ' HA3' ' A' ' 60' ' ' GLY . 7.8 p -101.06 -58.7 1.83 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.988 -172.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -91.35 156.61 43.4 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.17 -0.923 . . . . 0.0 112.125 -171.54 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 4.9 Cg_endo -88.81 31.55 0.4 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 123.483 2.789 . . . . 0.0 111.99 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.02 149.11 21.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.21 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.757 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.5 m -115.29 147.17 40.75 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.883 178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.471 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 68.1 m-85 -135.7 165.0 26.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.781 -175.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.704 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 61.7 m80 -94.87 -163.58 1.07 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 167.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.694 ' HB ' ' HB2' ' A' ' 40' ' ' LEU . 4.9 pt -108.04 20.97 4.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 119.984 -0.687 . . . . 0.0 111.09 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -145.38 12.84 1.37 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -79.36 -24.37 42.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.955 0.407 . . . . 0.0 111.114 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' H ' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -95.59 -179.04 4.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.396 -177.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.651 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 9.3 mmp_? -67.22 -55.56 15.29 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.157 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.651 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 4.1 Cg_exo -76.46 102.1 1.57 Allowed 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.293 1.995 . . . . 0.0 111.291 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.22 130.01 40.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.751 -178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.694 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . 1.3 mp -93.52 139.07 31.16 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.974 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -100.66 -2.17 33.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.197 0.522 . . . . 0.0 109.994 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -148.3 136.52 21.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.641 176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.73 120.43 75.72 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.21 0.528 . . . . 0.0 111.393 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HD2' HD22 ' A' ' 22' ' ' LEU . 97.3 Cg_endo -84.48 87.71 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 123.054 2.503 . . . . 0.0 112.604 -177.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -99.06 97.4 8.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.993 0.425 . . . . 0.0 110.475 179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 163.25 -104.41 0.23 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.997 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.3 89.15 3.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.055 0.455 . . . . 0.0 110.184 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -143.32 137.16 28.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.153 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -128.68 162.9 26.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.343 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -90.59 160.37 39.09 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.805 -168.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 93.4 Cg_endo -102.8 17.65 0.23 Allowed 'Trans proline' 0 N--CA 1.441 -1.579 0 C-N-CA 123.746 2.964 . . . . 0.0 110.91 172.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -138.21 -69.86 0.44 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -170.232 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.742 ' HB3' HH11 ' A' ' 13' ' ' ARG . 0.1 OUTLIER -71.03 -16.65 62.62 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.776 -172.219 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.84 101.51 7.69 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.962 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.27 153.1 65.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.005 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.64 -20.96 30.02 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.355 2.037 . . . . 0.0 112.163 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.64 -3.19 57.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.526 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tp -154.14 100.61 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.261 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.53 166.97 11.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.939 -178.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' HA3' ' HB ' ' A' ' 26' ' ' THR . . . -94.0 -32.69 7.36 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HD2' ' HA ' ' A' ' 61' ' ' LYS . 2.4 tptp . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.98 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.423 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.484 1.845 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.423 ' HD3' ' HA3' ' A' ' 1' ' ' GLY . 3.6 Cg_exo -74.44 67.07 5.46 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.334 2.689 . . . . 0.0 112.083 179.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.3 mt -145.61 40.32 1.19 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.548 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.56 -142.42 21.03 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.65 -176.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.62 88.28 2.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.884 0.373 . . . . 0.0 110.302 177.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -114.02 165.19 12.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.802 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -100.45 -79.88 0.49 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.033 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.541 ' HA ' ' O ' ' A' ' 28' ' ' PRO . 8.5 p-80 -90.13 -176.97 5.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.278 176.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -105.62 153.48 21.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.874 0.368 . . . . 0.0 110.87 -178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -83.31 4.1 28.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.575 176.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 22.9 p90 -148.26 170.92 16.83 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.482 -177.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -87.07 122.89 31.52 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 175.217 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HD2' ' HE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -61.58 -10.43 8.14 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -173.009 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.0 t -79.52 -69.03 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.594 0.235 . . . . 0.0 111.246 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 13.7 p -89.7 -2.26 58.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.626 0.25 . . . . 0.0 111.404 -177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.539 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 67.05 11.36 8.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.24 0.616 . . . . 0.0 111.642 179.738 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.598 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER -98.74 149.89 22.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.852 179.256 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' A' ' 11' ' ' PHE . . . -97.18 -159.02 31.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.84 176.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 117.15 -129.16 8.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.066 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.52 94.89 9.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.228 0.537 . . . . 0.0 110.052 177.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.4 HD21 ' HA2' ' A' ' 18' ' ' GLY . 5.2 mt -105.5 148.57 27.07 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.115 -175.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 22' ' ' LEU . 1.5 mm? -99.95 126.71 46.14 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.179 174.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 74.3 m -89.28 137.86 31.95 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.749 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 45.6 m -53.34 162.82 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.921 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -88.34 -4.71 58.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.81 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.52 HG23 ' SG ' ' A' ' 27' ' ' CYS . 0.5 OUTLIER -155.32 -51.78 0.09 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.444 -178.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -75.32 168.98 22.73 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -176.147 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.541 ' O ' ' HA ' ' A' ' 8' ' ' HIS . 68.8 Cg_endo -98.3 45.75 0.09 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.779 2.319 . . . . 0.0 112.767 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.85 158.92 22.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.978 0.418 . . . . 0.0 111.54 -177.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.558 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -128.11 129.49 46.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.798 176.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.422 ' HE1' ' HD2' ' A' ' 13' ' ' ARG . 63.9 m-85 -125.71 164.87 19.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.213 -175.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.54 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 7.8 m80 -99.33 152.07 20.35 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 168.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.409 HG12 ' H ' ' A' ' 33' ' ' ILE . 1.3 pt -58.44 -38.79 72.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 123.085 0.241 . . . . 0.0 111.609 -179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.445 ' HA ' ' HB1' ' A' ' 39' ' ' ALA . 4.4 p80 -103.16 15.12 30.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -177.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 34.0 m -103.75 2.79 33.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.145 0.497 . . . . 0.0 110.811 177.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mt -96.15 167.04 11.45 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.53 172.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.636 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 2.2 mtm180 -61.73 -54.14 54.24 Favored Pre-proline 0 CA--C 1.535 0.403 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.742 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.636 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 1.8 Cg_endo -79.64 63.8 8.78 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.667 2.245 . . . . 0.0 110.506 172.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.445 ' HB1' ' HA ' ' A' ' 34' ' ' HIS . . . -53.69 135.85 40.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.254 -173.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.1 151.85 28.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.657 176.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -109.99 -1.29 17.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.086 0.47 . . . . 0.0 110.098 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -127.94 143.76 51.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.138 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -80.1 137.06 53.29 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.403 179.696 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HD2' HD11 ' A' ' 22' ' ' LEU . 37.8 Cg_exo -65.01 157.77 55.34 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 122.832 2.355 . . . . 0.0 111.891 -177.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -74.63 -43.4 55.64 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.768 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.01 -49.31 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.389 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -77.04 80.42 3.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.872 0.368 . . . . 0.0 111.311 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.8 t90 -111.46 146.27 37.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.471 ' HB2' ' HD2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -134.42 134.15 41.3 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.564 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.72 117.59 63.6 Favored Pre-proline 0 N--CA 1.445 -0.699 0 CA-C-O 121.092 0.472 . . . . 0.0 112.122 -172.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.408 ' HA ' ' HG3' ' A' ' 56' ' ' PRO . 94.9 Cg_endo -80.09 38.98 0.78 Allowed 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.76 2.307 . . . . 0.0 111.399 174.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -135.17 -70.33 0.49 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.713 -176.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -36.91 72.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.35 -177.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 p -108.78 175.95 5.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.714 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.5 OUTLIER -80.41 119.33 76.06 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.653 0.263 . . . . 0.0 110.991 -178.547 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 55' ' ' CYS . 4.6 Cg_exo -74.19 69.88 4.76 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.236 2.624 . . . . 0.0 111.962 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.22 11.74 34.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.05 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 58' ' ' LEU . 7.1 tp -156.54 -176.96 6.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.031 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.471 ' HD2' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER 71.67 -71.28 0.14 Allowed 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.92 0.763 . . . . 0.0 111.644 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.91 87.34 0.14 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.467 -0.873 . . . . 0.0 112.603 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.5 tptp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.512 -0.756 . . . . 0.0 109.948 177.586 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.31 -25.67 42.26 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.494 2.13 . . . . 0.0 112.166 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.91 140.32 38.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.53 179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.98 174.59 21.81 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -80.13 57.79 2.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.47 0.652 . . . . 0.0 110.633 179.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -88.44 66.39 8.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.164 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -114.64 -53.86 2.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -100.73 122.92 44.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.747 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.2 128.28 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.301 175.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -87.07 41.96 1.0 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.281 0.562 . . . . 0.0 110.163 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' CD2' ' HA ' ' A' ' 16' ' ' LYS . 55.4 p90 -168.4 164.45 12.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.355 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -78.64 122.56 26.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.474 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -70.77 17.0 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -171.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.2 t -103.19 -69.64 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.873 0.368 . . . . 0.0 110.496 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.731 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 10.4 p -89.49 -7.1 55.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.603 -176.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 74.13 2.08 4.06 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.433 0.693 . . . . 0.0 112.298 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.737 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 0.5 OUTLIER -84.05 145.3 28.55 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 176.129 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 11' ' ' PHE . . . -143.36 53.28 0.61 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.162 -1.018 . . . . 0.0 113.583 -176.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.41 -67.59 1.63 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.738 175.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -117.98 104.07 10.53 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.438 HD11 ' HA2' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -98.66 118.05 34.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.516 -174.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.48 139.14 30.98 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.479 -0.782 . . . . 0.0 108.931 172.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.64 158.79 39.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.512 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.487 ' HB2' ' H ' ' A' ' 25' ' ' ASP . 0.8 OUTLIER -81.25 -155.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.527 0.68 . . . . 0.0 111.76 -176.677 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.487 ' H ' ' HB2' ' A' ' 24' ' ' CYS . 12.3 t70 -100.35 -37.84 8.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.708 178.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.73 -20.48 18.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.798 -168.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -134.48 160.36 68.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.176 178.029 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.87 33.96 0.44 Allowed 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.855 2.37 . . . . 0.0 111.434 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.535 ' OG ' ' HB2' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -68.76 100.24 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.224 -176.189 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.659 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -79.4 115.19 18.9 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.317 -179.311 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.634 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 24.4 m-85 -132.62 171.09 14.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.587 -174.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.737 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 9.8 m170 -107.66 153.76 22.45 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 171.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.467 HG21 ' HA ' ' A' ' 43' ' ' VAL . 18.3 pt -67.17 -21.63 28.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -113.61 4.12 15.97 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -175.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 89.0 m -100.96 8.4 43.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.993 0.425 . . . . 0.0 111.833 -177.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 166.45 10.83 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.441 175.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.63 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -69.36 -54.72 10.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.208 174.546 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.63 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 2.5 Cg_endo -77.47 61.64 7.46 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.41 2.073 . . . . 0.0 110.515 172.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.45 152.69 44.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.72 -173.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.635 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.6 mp -111.17 147.18 35.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.626 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -93.86 -0.39 55.77 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.869 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.85 167.53 21.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.514 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 15.0 p -90.18 119.57 69.24 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.351 0.596 . . . . 0.0 110.859 -178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.635 ' HG3' HD22 ' A' ' 40' ' ' LEU . 5.5 Cg_exo -77.73 108.85 2.63 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.966 2.444 . . . . 0.0 111.52 -177.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -105.78 9.02 33.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.056 0.455 . . . . 0.0 110.169 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.95 -91.06 2.1 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.171 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -123.86 142.66 50.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.598 0.237 . . . . 0.0 110.588 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.2 t90 -156.53 155.67 32.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.697 -179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.547 ' HG3' ' SG ' ' A' ' 53' ' ' CYS . 4.3 tp60 -136.41 124.03 22.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.842 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.2 p -80.93 162.93 58.06 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -72.99 3.48 4.47 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.79 2.327 . . . . 0.0 111.899 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.72 ' HB3' HH11 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -117.05 1.12 12.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.657 -178.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.597 ' HA ' ' SG ' ' A' ' 27' ' ' CYS . 4.5 m -60.35 -38.11 82.78 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.247 0.546 . . . . 0.0 110.559 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.75 14.31 25.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.453 -176.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' A' ' 52' ' ' ARG . 10.0 m -108.01 99.59 31.67 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.164 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.473 ' HB2' ' H ' ' A' ' 57' ' ' ALA . 95.5 Cg_endo -84.98 -139.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.902 2.401 . . . . 0.0 112.11 -178.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.473 ' H ' ' HB2' ' A' ' 56' ' ' PRO . . . 61.17 36.22 18.17 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.17 0.509 . . . . 0.0 110.711 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.1 mt -87.1 -14.77 40.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.571 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 55.16 51.04 13.93 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.406 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.02 62.53 3.64 Favored Glycine 0 C--N 1.331 0.272 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.949 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.548 -0.739 . . . . 0.0 109.994 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -77.55 91.3 1.19 Allowed 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.724 2.283 . . . . 0.0 112.332 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.01 147.48 25.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.861 -179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.43 -17.2 79.51 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.929 -0.653 . . . . 0.0 111.653 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.3 119.84 10.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.496 -0.352 . . . . 0.0 110.147 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -73.34 127.04 31.53 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.822 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -102.59 103.77 14.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.923 -178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -80.79 125.3 29.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.059 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.8 tpt -156.64 146.33 20.82 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -76.79 83.12 3.39 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.597 ' HA ' HD21 ' A' ' 21' ' ' LEU . 1.5 p90 -174.98 164.03 3.33 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.779 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 6.7 m -66.02 114.88 5.52 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HD2' ' OH ' ' A' ' 31' ' ' TYR . 36.0 mtt180 -60.5 -24.94 65.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.622 -176.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -103.68 -66.6 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.116 0.484 . . . . 0.0 111.22 -178.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.55 8.14 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG2' ' HE2' ' A' ' 11' ' ' PHE . 14.4 mttm 39.7 43.98 1.21 Allowed 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 169.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.779 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.2 p-10 -117.32 167.12 11.52 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.604 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.758 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -142.46 -165.58 10.62 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.755 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.01 -112.93 4.47 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.622 -0.799 . . . . 0.0 111.999 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.76 63.38 5.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.595 0.712 . . . . 0.0 109.771 176.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.758 HD22 ' HA2' ' A' ' 18' ' ' GLY . 0.8 OUTLIER -85.92 132.25 34.12 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.626 -1.17 . . . . 0.0 110.965 -175.468 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tp -85.46 109.3 18.37 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -87.02 161.0 18.43 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.098 -171.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 9.1 t -70.18 -160.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.106 174.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.555 ' HB3' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -130.89 -31.67 1.71 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.183 175.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.63 -15.91 18.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.317 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.523 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 6.0 p -138.24 164.81 37.8 Favored Pre-proline 0 N--CA 1.453 -0.299 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 27' ' ' CYS . 95.3 Cg_endo -83.75 1.47 8.86 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.508 2.138 . . . . 0.0 113.121 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -66.94 135.77 54.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.906 0.384 . . . . 0.0 110.301 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.748 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -132.29 162.31 31.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.925 -178.088 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.694 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 79.7 m-85 -143.89 -174.41 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.102 0.477 . . . . 0.0 112.009 -171.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.766 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 47.6 m80 -79.81 -135.86 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 166.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.51 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 47.5 pt -129.28 16.22 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 121.889 -0.507 . . . . 0.0 109.938 167.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -148.93 12.75 0.87 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.157 -174.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.766 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.3 m -72.78 -43.35 62.9 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.934 -0.478 . . . . 0.0 111.62 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.23 179.9 6.83 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.553 -173.221 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -54.78 32.15 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.936 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 11.4 Cg_exo -69.83 94.62 0.54 Allowed 'Trans proline' 0 C--N 1.357 1.016 0 C-N-CA 122.143 1.895 . . . . 0.0 111.171 175.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.5 132.27 42.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.571 -174.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' HG ' ' HG3' ' A' ' 44' ' ' PRO . 1.5 mm? -92.56 96.63 10.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.167 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -73.7 -14.68 61.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.991 0.424 . . . . 0.0 110.629 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.85 160.5 39.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.088 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -66.64 116.94 39.66 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.883 0.373 . . . . 0.0 110.619 -179.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.584 ' HG3' ' HG ' ' A' ' 40' ' ' LEU . 72.2 Cg_endo -80.93 77.86 3.88 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.854 2.369 . . . . 0.0 112.622 -176.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -68.83 133.12 47.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.242 178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.19 -131.4 7.2 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.882 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.58 105.42 16.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.73 0.3 . . . . 0.0 110.378 177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.2 t90 -112.19 141.88 45.34 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.907 0.385 . . . . 0.0 110.132 178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.772 ' HB2' ' HA ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -130.68 141.01 50.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.043 179.673 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.624 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 11.9 p -66.4 167.25 13.33 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.988 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.624 ' HD2' ' HB2' ' A' ' 50' ' ' CYS . 39.9 Cg_endo -67.5 -3.88 10.94 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.824 2.35 . . . . 0.0 113.149 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -93.06 -51.31 5.11 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 177.33 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 33.9 m -76.91 -67.56 0.69 Allowed 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.178 176.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.772 ' HA ' ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER 43.28 -108.42 0.12 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.532 178.347 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.451 ' H ' ' HB ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -117.66 106.07 46.82 Favored Pre-proline 0 N--CA 1.45 -0.457 0 CA-C-O 120.773 0.32 . . . . 0.0 110.419 -178.568 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -75.24 72.08 4.92 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.958 2.438 . . . . 0.0 111.875 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.7 -38.47 81.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.649 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.564 ' HB3' ' HB2' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -139.05 15.5 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.804 176.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.65 49.79 4.81 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.008 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.09 -42.48 1.37 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.377 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' HB3' ' A' ' 58' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.549 -0.739 . . . . 0.0 110.589 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.79 -20.16 46.24 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.802 2.335 . . . . 0.0 112.381 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.6 mt -110.61 -172.77 2.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.906 176.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.39 52.8 4.78 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.034 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.73 135.77 38.41 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t70 58.83 33.63 23.18 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.279 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.447 ' HB3' ' H ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER -134.89 -94.07 0.28 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.705 178.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.447 ' H ' ' HB3' ' A' ' 7' ' ' HIS . 51.9 t-80 -115.54 143.5 45.24 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 173.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.91 166.88 31.5 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -94.35 34.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.12 0.485 . . . . 0.0 110.842 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.632 ' HA ' ' HA2' ' A' ' 18' ' ' GLY . 49.8 p90 -161.06 160.99 31.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.465 177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -81.9 126.45 31.92 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 179.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -59.25 -18.93 41.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -171.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 35' ' ' CYS . 84.3 t -78.54 -67.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -177.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.726 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 9.5 p -91.09 -3.84 56.79 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.575 -174.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt 69.11 1.89 3.39 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.158 0.583 . . . . 0.0 112.232 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.726 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.5 OUTLIER -80.12 142.47 34.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.481 0.182 . . . . 0.0 110.622 179.049 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.632 ' HA2' ' HA ' ' A' ' 11' ' ' PHE . . . -104.5 -131.96 7.31 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.488 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.14 -141.38 16.24 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.551 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -99.63 104.0 15.73 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.28 169.64 9.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.843 -172.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.3 tp -108.45 107.1 17.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.154 -0.93 . . . . 0.0 108.825 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.81 154.1 22.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.021 0.438 . . . . 0.0 112.017 -171.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 49' ' ' GLN . 52.2 t -64.84 162.47 16.17 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.426 179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -103.54 -10.63 18.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.532 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.7 p -106.59 -39.53 5.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.805 0.336 . . . . 0.0 111.006 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -115.43 151.74 46.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.109 176.55 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 6.2 Cg_exo -83.05 36.2 0.61 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.76 2.306 . . . . 0.0 112.47 -176.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.65 120.08 29.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.098 0.475 . . . . 0.0 111.521 -177.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.508 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -86.02 121.69 29.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.914 177.085 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.649 ' CD1' HD23 ' A' ' 36' ' ' LEU . 1.5 m-85 -131.89 173.21 11.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.07 0.462 . . . . 0.0 111.517 -173.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.531 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 10.3 m80 -117.78 150.99 38.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 171.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.692 HD13 ' N ' ' A' ' 42' ' ' GLU . 0.8 OUTLIER -57.79 -26.04 26.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.329 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -110.14 -3.96 16.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.65 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 89.4 m -98.06 44.22 1.04 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.052 0.453 . . . . 0.0 111.511 -178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD23 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -158.19 179.53 9.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.136 177.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.646 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 2.3 ttp180 -61.75 -56.42 32.69 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.605 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.646 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 98.8 Cg_endo -82.52 72.05 6.21 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.058 1.838 . . . . 0.0 112.12 178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.33 129.0 38.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.636 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.44 HD13 ' HG3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -118.72 -170.69 1.95 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.282 -178.447 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -126.72 52.5 1.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.575 0.226 . . . . 0.0 111.082 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.692 ' N ' HD13 ' A' ' 33' ' ' ILE . 0.7 OUTLIER 61.02 48.53 6.42 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.431 0.634 . . . . 0.0 110.073 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.659 ' H ' ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -101.29 -59.38 0.1 Allowed Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.136 -0.938 . . . . 0.0 112.998 -173.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.659 ' HD2' ' H ' ' A' ' 43' ' ' VAL . 44.4 Cg_endo -66.48 157.55 59.98 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.309 2.673 . . . . 0.0 112.13 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -173.76 123.91 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.74 -62.42 4.39 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.825 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -84.94 61.83 7.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.979 0.418 . . . . 0.0 110.342 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 42.2 t90 -139.19 160.46 39.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.549 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.458 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . 12.0 pt20 -157.1 153.94 28.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.666 179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.402 ' C ' ' H ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -53.95 158.0 3.8 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-O 121.092 0.472 . . . . 0.0 111.368 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.729 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 83.5 Cg_endo -78.92 18.45 1.01 Allowed 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.239 1.96 . . . . 0.0 110.982 172.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER -113.95 -34.24 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.206 -175.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -16.89 57.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 110.042 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.23 57.22 4.12 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.945 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -64.91 -55.68 26.1 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.517 -178.387 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 84.4 Cg_endo -84.43 41.23 0.96 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 122.188 1.925 . . . . 0.0 112.117 178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -153.85 155.49 35.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.75 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.5 mp -93.89 114.15 26.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.86 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.729 ' HG3' ' HA ' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -91.66 63.83 4.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.894 0.378 . . . . 0.0 111.245 -176.149 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.66 -36.39 33.42 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.037 175.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.726 176.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.507 0 N-CA-C 111.934 -0.467 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -64.87 -32.48 55.2 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.012 2.474 . . . . 0.0 112.248 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.8 mt -118.61 49.57 1.28 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.188 0.518 . . . . 0.0 110.312 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.86 -161.28 30.57 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.416 -176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m 61.23 96.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 111.238 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 60.2 t0 73.8 119.27 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.935 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -6.55 59.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.006 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -76.52 90.59 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.957 0.408 . . . . 0.0 110.09 178.224 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.3 ttt -83.02 141.63 31.92 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.863 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.52 25.05 10.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.294 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.448 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 16.4 p90 -162.98 168.83 20.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.377 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.645 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 16.2 m -67.75 123.71 21.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.694 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.996 HH21 ' HB3' ' A' ' 53' ' ' CYS . 2.1 ptp180 -63.31 -14.39 49.27 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.42 -68.35 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.583 0.706 . . . . 0.0 110.562 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.5 10.75 3.55 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -177.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 42.87 39.81 1.88 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 167.059 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.645 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.3 p-10 -115.3 169.33 9.22 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.707 0.289 . . . . 0.0 111.31 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.719 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -136.59 -142.21 4.41 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.529 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.06 -119.31 4.91 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.978 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.44 97.12 9.19 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.719 HD11 ' HA2' ' A' ' 18' ' ' GLY . 3.0 mt -106.47 141.86 37.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.289 -175.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.535 ' HB3' ' O ' ' A' ' 32' ' ' HIS . 1.3 tp -86.85 106.08 17.48 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 3.3 m -106.42 133.51 51.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.716 -173.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.43 155.85 34.19 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.138 0.494 . . . . 0.0 112.301 -177.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.501 ' HB2' ' HA ' ' A' ' 47' ' ' GLU . 9.1 t70 -93.01 -12.19 31.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.997 176.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.73 -17.77 21.89 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.243 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.25 159.48 30.98 Favored Pre-proline 0 N--CA 1.448 -0.572 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.507 178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.476 ' HB2' ' HA ' ' A' ' 8' ' ' HIS . 96.6 Cg_endo -89.09 58.51 2.23 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.474 2.116 . . . . 0.0 113.278 -175.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 m -113.55 164.26 13.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.376 176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -133.04 140.71 47.85 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.683 0.278 . . . . 0.0 110.95 -177.306 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.595 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 97.2 m-85 -141.88 -179.71 6.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -177.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.704 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 25.6 m80 -78.85 -120.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 168.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.524 HG21 ' HB ' ' A' ' 43' ' ' VAL . 50.9 pt -136.21 14.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.925 167.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -162.67 19.12 0.09 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -174.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.704 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -70.27 -23.66 62.92 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.257 0.551 . . . . 0.0 110.672 -178.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD13 ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -91.38 -178.77 5.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.607 -178.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.677 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 2.6 mtm180 -60.01 -54.57 54.06 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.536 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.677 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 4.9 Cg_exo -77.25 90.32 1.25 Allowed 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 122.089 1.859 . . . . 0.0 111.427 178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.25 133.21 45.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.803 -178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.84 139.25 41.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.936 0.398 . . . . 0.0 110.549 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -91.28 -30.67 16.47 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.98 125.23 53.38 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.186 -0.916 . . . . 0.0 109.502 175.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.524 ' HB ' HG21 ' A' ' 33' ' ' ILE . 2.1 p -64.38 119.29 55.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.211 -175.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.79 60.76 7.96 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 123.033 2.489 . . . . 0.0 111.797 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -59.4 124.27 19.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.435 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.32 -142.66 10.22 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.273 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HA ' ' HB2' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -85.5 56.16 3.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.372 0.606 . . . . 0.0 110.103 177.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.404 ' CZ2' ' HD3' ' A' ' 51' ' ' PRO . 45.2 t90 -68.65 134.02 49.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.167 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.76 HE21 ' N ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -103.55 140.22 37.82 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -178.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.76 ' N ' HE21 ' A' ' 49' ' ' GLN . 0.0 OUTLIER -61.72 121.26 63.41 Favored Pre-proline 0 N--CA 1.447 -0.582 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -177.241 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.736 ' HG2' HD13 ' A' ' 36' ' ' LEU . 74.0 Cg_endo -91.27 17.03 1.45 Allowed 'Trans proline' 0 N--CA 1.443 -1.477 0 C-N-CA 123.18 2.587 . . . . 0.0 110.457 167.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.54 -50.14 0.21 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -173.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.996 ' HB3' HH21 ' A' ' 13' ' ' ARG . 0.0 OUTLIER -83.76 -32.88 25.18 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.472 0.653 . . . . 0.0 110.633 -174.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -70.16 -22.74 62.94 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.458 -175.59 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.634 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -60.34 -57.7 24.68 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 111.656 0.243 . . . . 0.0 111.656 178.394 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.634 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 15.9 Cg_exo -69.4 -23.42 32.47 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 122.186 1.924 . . . . 0.0 111.995 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.9 -54.36 8.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.102 0.477 . . . . 0.0 110.469 178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.2 mt -116.16 -95.9 0.47 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.892 177.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 6.2 mmtt -135.92 154.56 51.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 176.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -85.72 -171.58 48.16 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.425 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.783 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' HA2' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.432 ' HD3' ' HA2' ' A' ' 1' ' ' GLY . 37.2 Cg_exo -63.15 -59.82 0.21 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.732 2.288 . . . . 0.0 112.469 -177.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.465 ' HA ' HD23 ' A' ' 3' ' ' LEU . 4.6 mt -123.3 154.16 39.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.751 0.31 . . . . 0.0 110.548 179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.443 ' N ' ' HG2' ' A' ' 10' ' ' GLU . . . -98.2 71.47 0.63 Allowed Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.382 176.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -65.13 0.69 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.957 0.408 . . . . 0.0 110.837 -177.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.58 -63.22 0.05 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 175.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -93.02 60.19 3.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.221 170.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.447 ' HA ' ' HB2' ' A' ' 28' ' ' PRO . 1.0 OUTLIER -174.73 149.51 1.22 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.279 -175.026 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.762 ' HB2' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -139.52 146.9 40.51 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.096 -175.175 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -125.54 24.74 7.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.693 174.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -161.04 162.42 31.7 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.82 -177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.752 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -75.33 114.07 13.43 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.706 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HB3' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -62.01 -13.71 28.44 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.297 -173.71 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.7 t -69.77 -41.22 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.491 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 11.5 p -125.67 -7.46 6.81 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.733 -176.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mttt 70.53 24.4 4.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.316 0.646 . . . . 0.0 111.721 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.876 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 8.2 t0 -107.25 160.29 15.71 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.76 0.314 . . . . 0.0 111.356 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.11 -168.33 21.39 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.645 174.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.74 -118.08 3.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.767 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -77.97 85.86 4.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' TYR . 84.6 mt -105.45 109.31 21.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.152 -172.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.532 HD11 ' HD2' ' A' ' 44' ' ' PRO . 6.3 mt -78.38 121.2 24.19 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.18 171.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.14 128.8 35.12 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.776 0.322 . . . . 0.0 111.159 -176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' HB3' ' H ' ' A' ' 27' ' ' CYS . 18.9 m -47.71 145.85 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.876 177.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -81.2 -43.27 19.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.309 0.576 . . . . 0.0 110.377 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 p -100.54 -27.99 13.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.537 -175.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.409 ' H ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -109.94 170.28 5.51 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.073 -0.967 . . . . 0.0 111.196 -172.277 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HB2' ' HA ' ' A' ' 8' ' ' HIS . 68.4 Cg_endo -96.48 13.79 1.01 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.638 2.225 . . . . 0.0 112.21 -177.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.762 ' HA ' ' HB2' ' A' ' 9' ' ' MET . 0.0 OUTLIER -87.65 167.81 13.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.302 0.572 . . . . 0.0 111.92 -175.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.752 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -128.47 150.86 49.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 176.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.58 ' HE1' ' HD3' ' A' ' 52' ' ' ARG . 37.2 m-85 -135.62 157.38 47.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.855 0.36 . . . . 0.0 111.634 -173.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.876 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 5.4 m80 -98.73 145.35 27.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.509 HD13 HG22 ' A' ' 43' ' ' VAL . 1.7 pt -68.78 -10.67 13.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.33 7.18 10.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.106 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.665 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 15.2 m -103.32 5.51 37.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.044 0.45 . . . . 0.0 110.792 178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mt -102.34 172.94 6.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.053 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.79 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -72.07 -57.74 3.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.165 176.075 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.79 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 6.9 Cg_endo -83.25 82.62 2.06 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.341 2.027 . . . . 0.0 110.8 173.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.01 147.73 52.85 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.663 -173.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mp -108.66 143.24 38.0 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.557 177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -95.9 1.2 52.81 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.282 0.563 . . . . 0.0 110.264 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.15 159.56 41.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.539 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.509 HG22 HD13 ' A' ' 33' ' ' ILE . 3.3 t -99.88 110.63 59.84 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.618 0.247 . . . . 0.0 110.909 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.532 ' HD2' HD11 ' A' ' 22' ' ' LEU . 14.3 Cg_exo -68.14 177.3 4.55 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.826 2.35 . . . . 0.0 111.605 177.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.77 -159.99 0.54 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.589 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.48 33.93 2.27 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.939 176.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.2 61.69 1.36 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.465 ' CE3' ' HB3' ' A' ' 22' ' ' LEU . 61.7 t90 -137.13 134.76 36.76 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.568 -174.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.37 129.61 55.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.293 0.568 . . . . 0.0 110.28 177.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 54' ' ' THR . 0.3 OUTLIER -69.16 136.29 89.22 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.753 -1.112 . . . . 0.0 112.335 -173.057 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.89 11.3 3.37 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.034 2.489 . . . . 0.0 111.646 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HD3' ' HE1' ' A' ' 31' ' ' TYR . 3.5 ttt180 -109.65 -73.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.587 -178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -25.87 59.35 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.298 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER 64.23 -60.17 0.2 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.732 1.213 . . . . 0.0 112.902 176.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.616 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 9.5 m -157.59 -55.84 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.616 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 1.9 Cg_endo -86.86 79.12 1.76 Allowed 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.529 2.153 . . . . 0.0 113.041 -175.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.46 15.8 21.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.029 0.442 . . . . 0.0 110.467 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.89 -48.88 6.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.116 178.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.17 99.31 9.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.101 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 134.52 -109.19 0.77 Allowed Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.222 -177.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.452 -0.785 . . . . 0.0 110.17 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.66 -21.3 39.39 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.378 2.052 . . . . 0.0 112.696 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.4 mt -74.64 133.24 42.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.715 0.293 . . . . 0.0 110.552 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.87 -54.2 4.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.096 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.51 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 3.3 m -70.0 -4.71 22.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.715 0.293 . . . . 0.0 111.582 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -65.38 -33.85 76.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.059 0.457 . . . . 0.0 110.335 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -81.36 -60.38 2.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.928 175.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.673 ' HB3' ' HB2' ' A' ' 28' ' ' PRO . 2.2 p-80 -157.91 165.66 34.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.377 177.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -145.28 139.92 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.086 0.469 . . . . 0.0 111.077 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.509 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -89.71 37.58 0.88 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.927 -178.524 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -160.85 168.15 25.27 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.719 ' HB2' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -83.63 120.43 25.96 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -57.79 -26.23 61.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.411 -172.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.0 t -66.3 -73.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 8.5 p -83.46 -7.24 59.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.617 0.246 . . . . 0.0 111.433 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm 72.36 0.94 3.77 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.526 0.73 . . . . 0.0 112.074 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.651 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 2.8 t0 -79.82 149.93 30.86 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.755 0.312 . . . . 0.0 110.966 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.541 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -110.4 -117.49 3.83 Favored Glycine 0 N--CA 1.446 -0.687 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.211 178.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.79 -132.96 18.35 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.618 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -91.99 121.11 33.26 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.541 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -128.96 166.14 19.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.562 -174.279 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 116.23 31.57 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.291 -1.004 . . . . 0.0 108.291 172.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.2 m -91.34 153.71 19.72 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.392 -172.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 63.9 m -51.93 159.35 0.87 Allowed 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.93 178.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -96.05 -9.78 30.06 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.422 170.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -118.33 -64.74 1.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.031 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.599 ' O ' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -80.41 167.14 35.18 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.507 -177.014 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.673 ' HB2' ' HB3' ' A' ' 8' ' ' HIS . 41.8 Cg_endo -93.69 31.05 0.25 Allowed 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 122.887 2.392 . . . . 0.0 112.198 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.8 167.82 10.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.082 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.676 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 3.4 m -124.28 146.63 48.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.855 177.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.719 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 25.4 m-85 -137.32 168.12 20.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.09 0.471 . . . . 0.0 112.024 -174.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.601 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 21.2 m80 -115.77 153.67 31.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 170.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 pt -71.5 -20.48 21.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -106.58 0.23 24.35 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 74.7 m -100.31 17.35 21.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.963 0.411 . . . . 0.0 111.858 -176.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.18 170.37 8.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.783 175.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' CB ' ' HD3' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -68.5 -57.13 8.94 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.269 175.062 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.419 ' HD3' ' CB ' ' A' ' 37' ' ' ARG . 3.6 Cg_exo -76.05 63.74 6.88 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 122.4 2.067 . . . . 0.0 110.814 174.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.24 148.15 37.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.608 -174.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.4 mp -120.34 157.25 29.63 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.012 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.54 -10.0 20.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.111 0.481 . . . . 0.0 109.89 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -132.91 167.97 19.28 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.744 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 3.7 t -95.24 121.9 61.0 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 120.774 0.321 . . . . 0.0 111.134 -177.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.549 ' HB2' ' HB2' ' A' ' 48' ' ' TRP . 5.7 Cg_exo -79.84 73.92 5.79 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.201 2.601 . . . . 0.0 111.563 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -72.02 117.11 13.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.545 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 113.13 -89.02 0.5 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.994 -178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -88.04 105.53 17.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.906 0.384 . . . . 0.0 111.571 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.549 ' HB2' ' HB2' ' A' ' 44' ' ' PRO . 60.5 t90 -167.13 130.55 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.617 177.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.85 128.3 51.48 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -63.76 130.8 94.64 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.854 -175.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -86.91 37.82 0.52 Allowed 'Trans proline' 0 N--CA 1.454 -0.805 0 C-N-CA 122.872 2.382 . . . . 0.0 111.985 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.62 -57.12 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.566 -177.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.46 65.71 2.74 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.277 0.561 . . . . 0.0 111.108 -176.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.78 -28.71 70.17 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.281 174.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.528 ' SG ' ' HE2' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -133.29 116.8 14.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 114.214 -1.357 . . . . 0.0 108.048 166.208 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' ' HB3' ' A' ' 27' ' ' CYS . 5.2 Cg_endo -53.47 -38.63 83.29 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.77 2.313 . . . . 0.0 112.038 -174.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.5 83.19 2.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.69 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 55' ' ' CYS . 5.6 mt -66.71 96.17 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.463 -177.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -119.52 -34.22 3.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.439 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -132.21 75.6 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.346 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' HE2' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.602 -0.713 . . . . 0.0 110.368 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.89 -35.36 98.82 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.192 2.595 . . . . 0.0 112.651 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.1 mt -108.62 22.85 15.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.521 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.68 13.95 65.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.451 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.33 55.47 1.22 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.187 0.518 . . . . 0.0 110.362 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -121.01 -61.37 1.56 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.77 -178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -71.47 -39.72 70.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.535 0.683 . . . . 0.0 109.207 174.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.431 ' HB3' ' H ' ' A' ' 9' ' ' MET . 0.5 OUTLIER -146.62 -125.32 0.06 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.843 176.337 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.52 ' SD ' ' HA ' ' A' ' 29' ' ' SER . 16.7 ptm -173.97 131.56 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 174.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -92.57 37.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.481 0.658 . . . . 0.0 110.435 -178.288 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HD2' ' HB3' ' A' ' 16' ' ' LYS . 5.0 p90 -162.85 164.32 26.1 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.231 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.616 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -94.36 156.21 16.61 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.76 -175.276 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -74.43 -39.73 62.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -173.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.735 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 39.0 t -83.28 -82.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.141 -0.224 . . . . 0.0 110.661 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -82.41 76.04 9.3 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 118.91 -0.566 . . . . 0.0 110.237 172.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.616 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 4.8 mttt -49.01 64.79 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.836 1.654 . . . . 0.0 113.422 -171.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.547 ' HB3' ' CE1' ' A' ' 32' ' ' HIS . 4.3 t70 -119.78 166.6 13.04 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.512 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.601 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -96.72 -116.99 3.38 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 176.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.68 -131.44 21.45 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.093 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.06 104.1 16.67 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.601 HD11 ' HA2' ' A' ' 18' ' ' GLY . 34.9 mt -109.66 113.77 26.81 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.666 -175.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.438 HD13 ' HD2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -76.74 120.68 22.24 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 169.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.65 144.62 31.21 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.919 -174.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 29' ' ' SER . 26.5 m -56.35 155.38 7.04 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.575 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' HB3' ' OE1' ' A' ' 49' ' ' GLN . 39.1 t70 -71.2 -77.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.171 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -100.78 19.49 17.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.262 0.553 . . . . 0.0 110.953 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.638 ' HB2' ' SG ' ' A' ' 55' ' ' CYS . 1.6 t -128.61 145.98 58.29 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 27' ' ' CYS . 86.7 Cg_endo -91.19 52.22 0.84 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.677 2.251 . . . . 0.0 113.016 -171.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.645 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 1.2 m -131.15 162.99 28.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.849 0.357 . . . . 0.0 111.075 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.535 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 m -137.54 145.16 42.58 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.31 -178.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.545 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 96.9 m-85 -137.91 179.37 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.249 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.727 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 53.9 m80 -99.32 -141.37 0.32 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 169.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.5 pt -123.58 12.62 5.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.299 171.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.56 23.08 1.97 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.564 -177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.735 ' HB3' ' HB ' ' A' ' 14' ' ' VAL . 1.6 m -89.03 -57.61 2.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.186 0.517 . . . . 0.0 111.093 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.565 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -80.08 161.04 25.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.818 -176.618 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.41 ' N ' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -57.57 -51.11 84.16 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.427 178.479 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.565 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 73.7 Cg_endo -73.9 64.39 4.99 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.799 1.666 . . . . 0.0 110.989 174.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 158.43 14.18 Favored 'General case' 0 C--O 1.238 0.447 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.624 -173.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.516 ' HG ' ' CG ' ' A' ' 44' ' ' PRO . 1.9 mm? -105.38 127.42 52.96 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.075 -178.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -82.11 -24.41 35.17 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 177.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -134.09 151.48 51.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.018 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 3.2 t -72.61 120.54 81.23 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 120.769 0.318 . . . . 0.0 111.049 -177.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.516 ' CG ' ' HG ' ' A' ' 40' ' ' LEU . 13.0 Cg_exo -71.95 145.52 45.36 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.095 2.53 . . . . 0.0 112.05 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -150.48 129.76 12.84 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.346 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.16 -90.52 0.35 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 78.62 1.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.895 0.378 . . . . 0.0 110.451 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -106.02 112.38 25.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.725 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' OE1' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -101.88 135.16 43.9 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.286 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.5 OUTLIER -76.06 143.61 74.18 Favored Pre-proline 0 C--N 1.318 -0.796 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -171.258 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 97.5 Cg_endo -100.24 26.28 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.167 0 C-N-CA 123.55 2.833 . . . . 0.0 111.616 176.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.62 -59.14 0.67 Allowed 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -40.67 85.61 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.501 -174.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 50.5 58.37 5.59 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.147 0.579 . . . . 0.0 111.218 -179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.638 ' SG ' ' HB2' ' A' ' 27' ' ' CYS . 0.6 OUTLIER -67.65 160.92 70.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.958 -179.411 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -70.26 8.12 0.96 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.989 2.459 . . . . 0.0 112.671 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.47 68.3 9.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.217 0.532 . . . . 0.0 109.738 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.8 54.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.958 -176.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -66.87 -31.83 72.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.79 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.07 -69.39 0.21 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.687 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.921 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 112.098 -0.401 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -61.14 134.92 55.36 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.76 2.307 . . . . 0.0 112.061 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.7 119.6 38.37 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.576 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.06 -179.7 50.98 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.676 -0.773 . . . . 0.0 111.413 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.87 51.34 1.71 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.221 0.534 . . . . 0.0 110.999 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.18 111.75 23.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.964 178.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.56 -10.17 52.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.167 -176.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -152.21 140.54 20.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.216 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -127.09 112.13 14.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.932 0.396 . . . . 0.0 110.792 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -83.24 -21.52 33.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.393 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -101.3 160.44 14.41 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.752 176.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.821 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.7 OUTLIER -71.99 143.32 49.25 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.915 -177.31 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 mtm-85 -67.58 -51.1 54.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.724 -174.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 2.4 t -68.42 -75.53 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.78 30.65 0.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.642 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 20.1 mtpt 22.38 58.88 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.789 1.236 . . . . 0.0 113.923 172.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.879 ' HB3' ' HE1' ' A' ' 32' ' ' HIS . 28.4 t70 -150.8 158.36 44.06 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.721 -176.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 21' ' ' LEU . . . -110.75 -132.79 6.23 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.12 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.8 -82.81 1.18 Allowed Glycine 0 N--CA 1.452 -0.255 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 -178.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.543 ' O ' ' HA ' ' A' ' 32' ' ' HIS . 1.3 tp10 -84.03 89.54 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -110.85 97.16 6.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.976 -0.557 . . . . 0.0 112.296 -169.368 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.624 HD11 ' HD2' ' A' ' 44' ' ' PRO . 0.6 OUTLIER -83.15 154.69 24.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.969 169.768 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.42 130.39 47.64 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.981 -178.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -52.25 147.07 8.23 Favored 'General case' 0 C--O 1.238 0.463 0 O-C-N 123.764 0.665 . . . . 0.0 111.026 176.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.616 ' HB2' ' HA ' ' A' ' 49' ' ' GLN . 36.9 t70 -64.96 -68.78 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.611 -177.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.8 t -114.27 0.16 14.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.446 0.641 . . . . 0.0 110.835 -178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.2 165.13 14.7 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.601 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -97.12 26.84 0.21 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.834 2.356 . . . . 0.0 112.582 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.27 175.53 5.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.318 0.58 . . . . 0.0 111.019 -177.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.821 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 2.6 m -128.34 158.28 38.68 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 173.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.637 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 14.2 m-85 -140.54 173.27 11.66 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.133 -174.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.879 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 17.5 m80 -91.79 -152.82 0.31 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 168.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.448 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 20.8 pt -114.1 11.94 8.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 167.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.533 ' HA ' ' HB1' ' A' ' 39' ' ' ALA . 13.3 p-80 -150.33 24.45 0.81 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.688 -174.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.796 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 3.1 m -78.04 -30.01 49.63 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.098 0.475 . . . . 0.0 110.248 175.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.577 HD13 ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -99.91 172.83 6.98 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.196 -173.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.624 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 1.1 tpm_? -70.52 -53.06 10.3 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.993 177.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 4.5 Cg_exo -77.43 59.74 6.8 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.402 2.068 . . . . 0.0 111.136 175.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 34' ' ' HIS . . . -79.09 177.9 8.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.423 -175.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.587 HD13 ' HD3' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -132.94 168.79 17.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.652 178.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -104.32 -14.95 15.59 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.296 0.57 . . . . 0.0 109.834 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -121.46 169.55 10.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.198 175.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -100.37 123.67 45.62 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-O 120.838 0.352 . . . . 0.0 110.219 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.624 ' HD2' HD11 ' A' ' 22' ' ' LEU . 18.3 Cg_endo -63.4 154.73 66.52 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.758 2.305 . . . . 0.0 112.089 -177.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -112.24 114.98 28.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.398 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.98 -114.69 4.1 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.56 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.73 149.78 25.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.855 0.36 . . . . 0.0 111.247 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 44.1 t90 -157.76 104.79 1.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.018 175.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.616 ' HA ' ' HB2' ' A' ' 25' ' ' ASP . 1.8 tm0? -86.47 110.42 19.74 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.9 112.55 6.96 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.674 -174.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.577 ' HG2' HD13 ' A' ' 36' ' ' LEU . 65.4 Cg_endo -76.98 52.43 3.79 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.717 2.278 . . . . 0.0 112.269 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -142.95 -60.65 0.43 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.073 178.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 45.52 1.21 Allowed 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.41 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.85 75.25 4.4 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.532 -175.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.44 105.06 53.22 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 177.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -58.39 132.4 48.44 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.836 2.357 . . . . 0.0 112.557 -176.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 58.84 55.12 4.76 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.578 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -73.78 -26.51 60.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.458 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 mttp 61.99 55.97 2.42 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.842 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.65 20.19 15.55 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.683 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.599 -0.715 . . . . 0.0 109.7 178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 111.913 -0.475 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.82 174.22 11.91 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.8 2.333 . . . . 0.0 112.524 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.05 86.09 4.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.986 176.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.04 -99.43 1.8 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.69 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 m -124.77 135.62 53.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.005 0.431 . . . . 0.0 110.879 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -124.34 128.59 49.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.242 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 57.45 86.4 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.823 0.702 . . . . 0.0 111.236 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.28 137.12 33.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.784 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.653 ' HB3' ' HA ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -94.1 62.38 3.04 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.199 -177.564 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.09 40.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.351 0.596 . . . . 0.0 110.021 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 21.8 p90 -157.99 165.67 34.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.365 -178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' A' ' 30' ' ' SER . 57.0 m -64.26 140.53 58.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.831 0.348 . . . . 0.0 111.459 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.501 ' HB3' ' SG ' ' A' ' 55' ' ' CYS . 0.2 OUTLIER -74.08 -24.97 59.56 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.217 178.814 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.493 HG13 ' HB3' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -104.38 -67.06 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 121.417 0.627 . . . . 0.0 110.848 -178.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -77.79 -0.9 28.86 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 3.5 mttt 45.69 25.89 0.3 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 169.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' OD1' ' SG ' ' A' ' 12' ' ' CYS . 7.5 p-10 -93.77 159.69 15.09 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.762 0.315 . . . . 0.0 110.547 -179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' HA2' HD21 ' A' ' 21' ' ' LEU . . . -124.87 35.91 3.0 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.025 -179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -84.96 -115.03 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.875 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.8 105.64 3.85 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 175.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.65 ' HG ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -106.38 105.39 15.41 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.373 0.606 . . . . 0.0 112.141 -170.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.509 HD22 HG22 ' A' ' 33' ' ' ILE . 5.7 tp -101.13 115.87 31.5 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.041 -0.981 . . . . 0.0 108.71 173.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' A' ' 29' ' ' SER . 1.7 m -112.46 149.87 32.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.08 -169.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.87 167.54 21.67 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.392 175.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -95.52 -23.92 16.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.114 0.483 . . . . 0.0 110.676 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -81.22 -36.76 29.63 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.29 -177.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 149.17 47.16 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.052 -175.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -82.82 35.49 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.422 0 C-N-CA 122.975 2.45 . . . . 0.0 112.565 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.653 ' HA ' ' HB3' ' A' ' 9' ' ' MET . 0.0 OUTLIER -104.38 164.15 11.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.5 179.676 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.65 ' CB ' ' HG ' ' A' ' 21' ' ' LEU . 1.1 m -133.61 152.55 51.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.384 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 80.9 m-85 -141.59 -176.77 4.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.019 0.437 . . . . 0.0 111.624 -174.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.789 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 22.0 m80 -82.6 -144.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 165.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.509 HG22 HD22 ' A' ' 22' ' ' LEU . 7.3 pt -117.47 12.74 7.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.567 165.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.453 ' ND1' HG13 ' A' ' 33' ' ' ILE . 22.1 p-80 -157.39 24.33 0.29 Allowed 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -173.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.789 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.6 m -71.79 -43.84 65.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.124 0.488 . . . . 0.0 111.126 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.515 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -82.81 169.07 16.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.787 -176.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.668 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 16.4 tpt180 -52.13 -53.11 55.72 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.196 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.668 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 6.6 Cg_exo -74.55 68.79 5.3 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.349 2.033 . . . . 0.0 111.634 178.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.74 141.2 55.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.524 -176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -97.01 155.38 16.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.248 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -110.76 15.7 21.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.483 0.658 . . . . 0.0 109.624 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -153.07 165.32 35.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.168 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.7 t -95.6 110.29 50.29 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.497 0.189 . . . . 0.0 110.549 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.75 93.96 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.003 2.469 . . . . 0.0 111.807 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -90.58 104.58 17.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.671 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 147.28 -77.43 0.25 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.458 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.6 111.44 7.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.948 0.404 . . . . 0.0 110.769 -178.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -124.93 143.61 50.78 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.979 0.419 . . . . 0.0 110.815 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 50' ' ' CYS . 7.2 tp60 -139.66 133.14 30.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.786 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 49' ' ' GLN . 29.5 p -70.71 168.13 22.45 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.074 178.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.436 ' HD3' HD13 ' A' ' 36' ' ' LEU . 19.6 Cg_exo -59.92 -48.39 12.64 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 121.844 1.696 . . . . 0.0 110.171 172.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.77 39.97 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.237 -1.347 . . . . 0.0 108.193 173.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.428 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 0.8 OUTLIER 47.58 53.28 11.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.841 -175.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.3 t -105.53 119.79 40.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.293 -176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 13' ' ' ARG . 1.1 m -88.68 -51.69 0.38 Allowed Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.523 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -85.4 85.43 1.18 Allowed 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.528 2.152 . . . . 0.0 112.254 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.74 162.68 12.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.339 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' HB3' ' H ' ' A' ' 59' ' ' LYS . 1.9 mt 65.36 -98.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.512 0.507 . . . . 0.0 110.82 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' HB3' ' HE3' ' A' ' 59' ' ' LYS . 0.2 OUTLIER -117.23 7.15 12.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.109 0.481 . . . . 0.0 110.601 178.808 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 124.96 -177.9 16.71 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.914 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.243 0.731 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.804 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.657 ' HG2' ' HG2' ' A' ' 28' ' ' PRO . 23.3 Cg_exo -70.87 -15.65 32.92 Favored 'Trans proline' 0 C--O 1.23 0.12 0 C-N-CA 122.828 2.352 . . . . 0.0 113.044 -174.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.608 HD11 ' HG3' ' A' ' 9' ' ' MET . 61.5 mt -107.32 12.77 27.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.764 0.316 . . . . 0.0 110.58 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.1 -89.03 0.32 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.635 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -29.7 64.37 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.849 0.357 . . . . 0.0 110.965 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -108.63 162.65 13.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.312 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -107.75 -65.04 1.14 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.745 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -93.2 173.89 7.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.806 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.608 ' HG3' HD11 ' A' ' 3' ' ' LEU . 2.3 ttm -118.11 145.05 45.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.014 178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -101.97 25.89 8.2 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.134 0.492 . . . . 0.0 110.314 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' HA ' HD21 ' A' ' 21' ' ' LEU . 44.8 p90 -164.79 155.18 14.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.585 -179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.651 ' HB2' ' HA ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.97 118.6 20.42 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.539 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.586 ' HB2' ' HG3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -62.11 -17.6 58.24 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -172.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 88.0 t -67.79 -45.28 84.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.724 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 11.3 p -123.93 -0.92 8.4 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -174.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.0 OUTLIER 72.67 -4.03 2.21 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.309 0.643 . . . . 0.0 112.177 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.724 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 0.6 OUTLIER -84.32 147.57 27.12 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.582 0.229 . . . . 0.0 110.875 179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.76 -151.54 14.96 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.704 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.31 -112.55 4.03 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.121 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.68 84.0 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.725 ' HG ' ' HB2' ' A' ' 30' ' ' SER . 0.0 OUTLIER -97.43 104.06 16.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.712 -173.122 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.466 HD13 ' HD2' ' A' ' 44' ' ' PRO . 4.1 tp -81.87 113.83 20.07 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 170.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.94 149.29 30.86 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.341 -177.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -61.67 160.65 11.21 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.812 0.339 . . . . 0.0 111.159 178.676 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -64.76 -78.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 111.561 -175.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.8 t -93.93 6.08 49.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.429 0.633 . . . . 0.0 110.568 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 4.8 t -111.9 135.23 21.23 Favored Pre-proline 0 N--CA 1.445 -0.681 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.657 ' HG2' ' HG2' ' A' ' 2' ' ' PRO . 90.2 Cg_endo -91.44 55.78 0.93 Allowed 'Trans proline' 0 C--N 1.329 -0.469 0 C-N-CA 123.303 2.669 . . . . 0.0 113.288 -169.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -128.28 127.07 42.08 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.123 0.487 . . . . 0.0 111.479 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.725 ' HB2' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -97.21 137.56 36.05 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.888 -177.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.651 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . 51.1 m-85 -137.2 175.47 9.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.044 0.45 . . . . 0.0 111.107 -177.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.68 ' HE1' ' HB3' ' A' ' 17' ' ' ASP . 13.1 m80 -109.21 142.35 40.16 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 168.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.7 pt -58.13 -30.62 39.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.193 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -97.89 -0.27 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.62 ' HB2' ' HB2' ' A' ' 32' ' ' HIS . 15.5 m -94.63 -21.45 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.003 0.43 . . . . 0.0 110.621 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -68.11 155.76 38.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.186 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -55.96 -57.09 24.0 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.116 -179.428 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 40.6 Cg_endo -84.73 74.42 4.05 Favored 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 121.943 1.762 . . . . 0.0 110.676 173.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.8 128.69 18.73 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.204 -173.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.546 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -99.93 137.9 37.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.125 179.252 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -86.95 -19.71 28.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.98 0.419 . . . . 0.0 110.523 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.46 150.61 50.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.851 177.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -71.74 120.13 78.23 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.448 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.546 ' HG3' HD22 ' A' ' 40' ' ' LEU . 52.6 Cg_exo -55.24 147.33 55.86 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.219 2.613 . . . . 0.0 112.941 -176.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.35 138.01 47.31 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.122 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 70.92 -108.82 2.61 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.892 -0.594 . . . . 0.0 113.593 173.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 133.19 37.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.569 0.223 . . . . 0.0 111.038 -175.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.472 ' HE3' ' HA ' ' A' ' 24' ' ' CYS . 42.9 t90 -163.47 125.94 2.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.207 0.527 . . . . 0.0 110.769 174.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.453 HE21 ' HA ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -132.43 151.95 51.68 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.174 174.207 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.815 ' CB ' ' HB3' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -68.66 145.34 96.95 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-O 121.161 0.505 . . . . 0.0 112.258 -172.182 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.79 -25.71 7.5 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.691 2.261 . . . . 0.0 112.203 178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -162.32 37.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.532 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.815 ' HB3' ' CB ' ' A' ' 50' ' ' CYS . 0.7 OUTLIER -116.84 -35.73 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 -178.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.41 -35.87 82.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.385 0.612 . . . . 0.0 110.403 174.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.83 91.4 37.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.817 177.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.495 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 8.7 Cg_exo -75.65 41.82 0.85 Allowed 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.09 2.527 . . . . 0.0 112.475 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.31 -53.92 6.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.328 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.594 HD23 ' HB2' ' A' ' 59' ' ' LYS . 1.2 tt -71.68 -47.53 53.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.499 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.594 ' HB2' HD23 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -154.82 170.56 21.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.029 -179.572 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.45 -127.24 1.02 Allowed Glycine 0 N--CA 1.448 -0.555 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.586 ' HG3' ' HB2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.05 175.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.007 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.08 -54.61 3.79 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.616 2.211 . . . . 0.0 112.067 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mp -86.28 83.17 7.77 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.71 -44.3 12.88 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.234 -176.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -80.24 70.57 6.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.422 0.63 . . . . 0.0 110.619 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.37 -40.05 85.7 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.512 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -143.61 157.75 44.18 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.03 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -63.78 117.13 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.019 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.5 mtm -87.33 81.08 8.0 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.133 0.492 . . . . 0.0 109.968 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.34 41.21 0.52 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.449 0.642 . . . . 0.0 110.351 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 p90 -152.79 167.1 30.15 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.791 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.3 OUTLIER -71.08 117.21 12.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.686 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.606 ' NH2' ' HB2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -83.29 20.7 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.401 0.62 . . . . 0.0 109.387 170.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.415 ' H ' ' C ' ' A' ' 12' ' ' CYS . 2.2 t -119.09 -53.13 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.669 179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 7.3 p -113.16 -0.12 14.75 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.524 -176.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.61 12.39 8.67 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.364 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.651 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 8.1 t70 -79.59 137.71 37.22 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.918 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.516 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -126.27 28.26 4.85 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.304 179.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.71 -96.41 0.76 Allowed Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.402 ' C ' ' HG ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -110.87 113.59 26.28 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.516 HD11 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -138.03 176.42 8.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.062 0.458 . . . . 0.0 110.835 -175.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.68 130.83 51.18 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -89.31 169.12 11.7 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.751 -171.192 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 17.9 t -76.87 -178.81 5.07 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.588 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -114.13 -11.92 12.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.582 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 -19.97 4.62 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.375 -0.53 . . . . 0.0 112.218 -174.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 18.7 p -128.97 155.19 80.07 Favored Pre-proline 0 C--N 1.328 -0.365 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.231 173.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -81.8 56.44 5.9 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.626 2.217 . . . . 0.0 112.262 -177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.74 155.24 41.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.843 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.598 ' HA ' ' HA ' ' A' ' 23' ' ' CYS . 1.8 m -122.7 145.48 48.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.841 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -129.25 171.91 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.09 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.57 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 8.4 m80 -101.65 165.69 11.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 163.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.465 HG21 HG22 ' A' ' 43' ' ' VAL . 11.4 pt -76.68 -10.8 13.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 118.595 0.634 . . . . 0.0 110.434 178.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.57 12.39 16.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.842 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 9.2 m -110.46 32.11 5.43 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 111.526 -178.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.87 156.43 48.48 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.513 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -54.76 -58.48 14.18 Favored Pre-proline 0 CA--C 1.535 0.391 0 O-C-N 123.262 0.351 . . . . 0.0 111.531 -177.196 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 83.3 Cg_endo -84.52 65.1 6.72 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.009 1.806 . . . . 0.0 111.229 175.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.5 137.4 6.68 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.188 -0.915 . . . . 0.0 112.015 -174.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mt -81.67 156.73 24.92 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.4 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -98.05 -9.59 25.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.238 0.542 . . . . 0.0 109.957 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -146.02 171.89 14.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.753 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.465 HG22 HG21 ' A' ' 33' ' ' ILE . 43.6 t -86.75 119.18 71.1 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.258 178.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -58.02 104.12 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.878 2.386 . . . . 0.0 112.459 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -82.07 86.26 6.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.093 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 139.84 -144.98 15.78 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.899 -0.667 . . . . 0.0 111.971 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.43 128.54 33.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.716 0.293 . . . . 0.0 110.349 -178.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -131.71 148.88 52.62 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -126.01 135.01 51.3 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 3.1 p -67.86 153.57 94.99 Favored Pre-proline 0 C--O 1.238 0.464 0 CA-C-O 121.224 0.535 . . . . 0.0 111.043 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 6.1 Cg_exo -79.85 10.88 2.95 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.109 2.539 . . . . 0.0 111.874 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.606 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 7.0 mmt-85 -115.47 3.68 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.993 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.33 7.17 37.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.003 0.43 . . . . 0.0 109.854 175.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.53 93.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.028 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.9 m -71.05 137.24 84.71 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.564 -178.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -66.97 -19.5 51.92 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.589 2.193 . . . . 0.0 111.951 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -94.41 148.12 22.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.825 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mp -78.06 104.93 8.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.783 0.325 . . . . 0.0 110.509 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -100.52 -40.99 7.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.595 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.54 -53.38 0.17 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.876 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.817 176.896 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.969 -0.453 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.82 77.39 2.29 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.754 2.303 . . . . 0.0 112.112 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -116.85 37.39 3.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.72 -176.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.82 -111.66 3.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.331 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.78 -66.33 0.91 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 174.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t0 48.65 -106.87 0.19 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.981 0.801 . . . . 0.0 111.135 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.581 ' HD2' ' H ' ' A' ' 8' ' ' HIS . 0.1 OUTLIER 64.33 169.12 0.17 Allowed 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.548 0.689 . . . . 0.0 112.3 176.435 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.581 ' H ' ' HD2' ' A' ' 7' ' ' HIS . 47.3 p-80 -155.55 173.72 16.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.538 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttt -78.95 99.66 6.92 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.3 40.69 0.5 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.923 0.392 . . . . 0.0 111.34 -176.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 17' ' ' ASP . 45.7 p90 -168.81 154.93 6.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.285 176.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 30' ' ' SER . 76.9 m -61.18 146.35 47.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.265 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 28.0 mtt-85 -72.19 -17.62 61.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 174.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 t -109.53 -74.0 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.12 0.486 . . . . 0.0 110.669 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.58 12.94 1.41 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' N ' ' HB2' ' A' ' 12' ' ' CYS . 0.7 OUTLIER 40.81 32.14 0.15 Allowed 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 166.027 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' A' ' 11' ' ' PHE . 7.1 p-10 -118.36 162.63 17.99 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.499 -174.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.684 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -124.55 -163.08 11.59 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.728 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.17 -108.82 2.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.705 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -84.03 68.81 10.19 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.684 HD22 ' HA2' ' A' ' 18' ' ' GLY . 1.2 tp -93.7 127.71 39.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.48 -171.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.407 HD13 HG22 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -96.75 116.77 29.71 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.119 175.333 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 6.7 m -100.36 156.29 17.33 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.061 -176.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.983 ' HA ' ' HA ' ' A' ' 49' ' ' GLN . 29.9 t -60.53 178.07 0.24 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.784 0.802 . . . . 0.0 111.983 178.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.451 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 3.1 t70 -110.01 -4.48 15.87 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.305 -1.316 . . . . 0.0 109.417 173.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 p -130.81 -52.53 1.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.09 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -87.07 163.72 39.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 175.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HB2' ' HA ' ' A' ' 8' ' ' HIS . 92.3 Cg_endo -89.18 9.33 3.57 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.29 1.994 . . . . 0.0 112.581 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.69 151.08 39.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.722 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.9 OUTLIER -136.56 150.68 48.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.617 177.41 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.541 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 97.4 m-85 -142.4 -175.89 4.63 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.755 -174.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.816 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 18.5 m80 -77.38 -134.87 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 107.17 -1.419 . . . . 0.0 107.17 166.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.524 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 5.8 pt -122.59 8.94 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.796 167.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -154.61 16.61 0.45 Allowed 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -172.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.816 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.5 m -67.27 -48.65 67.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.353 0.597 . . . . 0.0 110.843 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.575 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -65.16 167.88 7.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.889 -176.09 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -53.51 64.96 Favored Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.437 178.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.575 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 3.1 Cg_exo -78.33 65.79 8.46 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.277 1.984 . . . . 0.0 110.971 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.92 147.03 52.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.783 -174.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.598 HD22 ' HG3' ' A' ' 44' ' ' PRO . 1.3 mp -92.55 146.13 23.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.605 175.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -107.35 -1.63 21.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.675 0.75 . . . . 0.0 109.189 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.68 151.17 48.46 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.647 175.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 21.8 t -81.96 116.25 62.24 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.335 -179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.598 ' HG3' HD22 ' A' ' 40' ' ' LEU . 8.0 Cg_exo -76.06 107.73 2.53 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.925 2.417 . . . . 0.0 112.194 -175.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.02 138.96 31.2 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.586 177.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 103.62 -133.72 11.58 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.074 -177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.32 160.1 21.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.562 0.22 . . . . 0.0 110.693 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -162.42 161.06 27.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.968 178.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.983 ' HA ' ' HA ' ' A' ' 24' ' ' CYS . 10.6 pt20 -164.58 151.87 11.53 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.125 178.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.51 ' HB2' ' H ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -60.76 171.0 1.17 Allowed Pre-proline 0 CA--C 1.535 0.403 0 CA-C-O 121.2 0.524 . . . . 0.0 112.197 -176.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.553 ' HG3' HD13 ' A' ' 36' ' ' LEU . 66.4 Cg_endo -92.57 6.39 3.2 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.719 2.28 . . . . 0.0 110.4 172.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.51 ' H ' ' HB2' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -100.89 -10.3 20.78 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.619 -173.381 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -36.39 74.0 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.385 0.612 . . . . 0.0 109.78 178.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.0 p -134.42 -79.99 0.45 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.296 176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -175.29 172.24 1.13 Allowed Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -65.02 -11.78 31.5 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.172 1.914 . . . . 0.0 112.004 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -110.14 -166.61 1.11 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.986 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.12 46.64 7.94 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.161 0.505 . . . . 0.0 111.139 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.09 37.13 4.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.541 0.686 . . . . 0.0 109.87 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.63 -37.61 2.0 Allowed Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.269 -0.872 . . . . 0.0 109.22 174.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.788 -0.525 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' HB2' ' HB2' ' A' ' 6' ' ' ASP . 8.4 Cg_exo -72.71 112.51 3.51 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.854 2.369 . . . . 0.0 111.722 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.471 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -115.27 162.17 17.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.815 0.341 . . . . 0.0 110.638 -178.261 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.31 -82.35 0.47 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.009 -179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -130.44 66.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.087 0.47 . . . . 0.0 110.74 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.414 ' HB2' ' HB2' ' A' ' 2' ' ' PRO . 4.5 t70 -105.11 -50.94 3.13 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -106.43 129.83 54.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.282 173.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 64.63 70.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.341 0.591 . . . . 0.0 110.684 -176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.5 mtt -72.13 130.64 41.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.423 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.54 2.72 55.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.692 0.758 . . . . 0.0 109.364 175.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.918 ' HA ' ' HA3' ' A' ' 18' ' ' GLY . 14.3 p90 -125.93 170.92 11.19 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.746 -1.116 . . . . 0.0 108.867 174.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.653 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 2.3 m -72.49 126.69 30.47 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.171 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' HG3' ' H ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -65.83 -15.08 62.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.33 173.736 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.0 t -102.73 -69.71 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.603 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 17' ' ' ASP . 0.8 OUTLIER -79.62 -11.78 59.86 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -173.295 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 15' ' ' CYS . 3.6 mmtt 75.48 -4.71 2.32 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.361 0.665 . . . . 0.0 112.094 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.761 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 2.0 m-20 -91.7 136.03 33.44 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.918 ' HA3' ' HA ' ' A' ' 11' ' ' PHE . . . -154.89 -145.2 4.11 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.462 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.91 -112.89 3.59 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.573 -177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -105.49 80.9 1.62 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.475 HD23 ' H ' ' A' ' 21' ' ' LEU . 2.6 pt? -134.98 -175.91 4.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.07 -173.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.06 146.39 51.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.193 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 30' ' ' SER . 0.8 OUTLIER -155.47 148.61 24.67 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 122.271 -0.268 . . . . 0.0 110.703 -176.123 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 29' ' ' SER . 0.0 OUTLIER -60.63 134.59 57.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 175.806 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -91.54 -30.31 16.48 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.262 0.553 . . . . 0.0 110.489 -176.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -107.18 9.29 30.28 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.729 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.7 t -144.16 144.21 25.21 Favored Pre-proline 0 N--CA 1.446 -0.669 0 CA-C-N 114.959 -1.019 . . . . 0.0 108.971 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -87.2 72.98 3.02 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.22 1.947 . . . . 0.0 113.747 -171.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.623 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 75.3 m -152.87 172.95 15.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.082 177.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.469 ' HB3' HD21 ' A' ' 21' ' ' LEU . 15.9 m -134.26 145.26 48.95 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.308 175.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.653 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 28.6 m-85 -145.81 169.81 17.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.068 0.461 . . . . 0.0 112.209 -175.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.898 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 54.9 m80 -116.64 175.68 5.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 168.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.4 pt -80.93 62.66 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.321 0.581 . . . . 0.0 110.469 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -176.65 -41.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.47 -175.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.898 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.4 m -79.47 41.3 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.446 -171.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD12 ' HD2' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -156.38 161.1 40.16 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 172.773 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.558 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -61.26 -58.31 19.73 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.532 -175.15 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.562 ' HG2' ' HB3' ' A' ' 51' ' ' PRO . 1.7 Cg_endo -81.2 58.15 6.82 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.351 2.034 . . . . 0.0 111.349 176.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.11 140.04 58.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.302 -176.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.13 166.97 10.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.098 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -99.28 -24.83 14.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.249 0.547 . . . . 0.0 109.722 176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.92 135.07 44.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.488 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 4.2 t -75.67 125.05 88.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.011 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' VAL . 7.1 Cg_exo -74.96 173.68 14.09 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.063 2.509 . . . . 0.0 112.318 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -80.68 -177.63 6.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -64.94 -40.37 97.15 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.916 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -75.88 84.77 2.82 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 175.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -130.42 143.72 50.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.943 -173.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -120.18 124.63 46.19 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.494 ' HB2' ' HD2' ' A' ' 51' ' ' PRO . 4.5 p -65.25 166.74 12.2 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.441 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.562 ' HB3' ' HG2' ' A' ' 38' ' ' PRO . 9.9 Cg_endo -51.39 -51.17 11.76 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.116 1.877 . . . . 0.0 110.0 172.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.527 ' HD2' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER 178.64 34.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.001 -1.454 . . . . 0.0 108.298 169.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 45.54 53.42 8.45 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.5 -174.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.25 66.81 8.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.543 -1.208 . . . . 0.0 112.024 -172.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -52.82 33.57 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.621 175.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -83.51 54.12 4.45 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 122.676 2.251 . . . . 0.0 111.11 174.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.34 -26.96 62.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.6 -175.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.37 78.07 2.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.422 . . . . 0.0 110.654 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -139.99 -17.54 0.94 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.814 -176.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.68 -100.27 1.19 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.39 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.062 -0.971 . . . . 0.0 109.27 173.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -70.02 110.59 2.65 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.826 2.35 . . . . 0.0 112.825 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.488 ' HG ' ' N ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -72.94 -34.59 66.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.661 175.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.488 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -87.23 67.31 3.36 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.99 -58.2 3.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.486 -0.357 . . . . 0.0 111.371 -174.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -147.73 96.0 2.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.896 0.379 . . . . 0.0 110.362 178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.08 153.02 32.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.809 -176.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.42 -67.08 0.25 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.951 0.782 . . . . 0.0 111.023 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.444 ' CE ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER 62.05 -168.51 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.665 177.046 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.98 -33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.543 -179.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.542 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 4.5 p90 -120.79 162.69 19.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -174.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.725 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 13.3 m -62.74 145.35 55.01 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.207 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HD3' ' OH ' ' A' ' 31' ' ' TYR . 1.7 mtp180 -70.13 -23.3 62.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.683 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 1.3 t -112.37 -65.05 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 121.24 0.543 . . . . 0.0 110.85 -178.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.72 6.0 9.93 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.542 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 11.3 mmtt 41.66 31.51 0.2 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 168.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.514 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 5.8 p-10 -98.42 153.28 18.69 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 122.336 -0.227 . . . . 0.0 110.495 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -134.36 -173.69 13.23 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.839 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.33 -110.25 3.82 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.156 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -81.48 68.6 7.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.132 0.491 . . . . 0.0 110.747 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.595 HD11 ' HB2' ' A' ' 30' ' ' SER . 0.5 OUTLIER -132.27 164.42 26.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.162 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.03 146.09 28.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.995 0.426 . . . . 0.0 111.657 -173.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.38 150.09 42.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.53 175.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.697 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 13.3 t -58.98 161.9 4.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.456 0.646 . . . . 0.0 111.372 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -76.39 -35.93 58.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.308 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.4 p -102.13 -39.26 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.57 -178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.83 ' HB3' HH12 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -108.58 164.39 14.85 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.548 -174.483 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -89.74 4.17 5.02 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.414 2.076 . . . . 0.0 112.841 -176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.57 121.29 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.436 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.595 ' HB2' HD11 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -111.3 136.72 50.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.198 -175.061 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.725 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 78.3 m-85 -143.97 -175.91 4.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.216 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.799 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 31.2 m80 -79.41 -114.15 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 168.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pt -133.8 9.73 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.816 170.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.6 p-80 -155.77 18.9 0.39 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -172.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.799 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 0.9 OUTLIER -87.16 -0.03 56.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.118 0.485 . . . . 0.0 110.925 -176.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.834 HD12 ' HD2' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -117.45 -175.86 2.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.421 -176.83 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.913 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 1.8 mtm180 -58.05 -61.98 6.38 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.344 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.913 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 2.2 Cg_endo -79.96 95.47 1.02 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.221 1.947 . . . . 0.0 111.585 177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.78 143.7 30.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.35 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mp -100.27 165.5 11.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.391 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -90.25 -40.81 11.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.229 0.538 . . . . 0.0 109.788 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -130.7 173.26 11.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.042 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.78 125.22 84.38 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -54.19 142.38 67.37 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.994 2.462 . . . . 0.0 112.871 -175.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.72 -38.35 6.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.079 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.77 -97.17 1.1 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.385 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -116.05 166.86 11.52 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.097 0.475 . . . . 0.0 111.293 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.413 ' HH2' ' HD2' ' A' ' 31' ' ' TYR . 65.3 t90 -159.25 137.16 10.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.789 176.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' NE2' ' SG ' ' A' ' 24' ' ' CYS . 0.6 OUTLIER -137.74 143.19 41.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.365 -179.402 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.697 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 1.3 p -71.91 167.42 31.49 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.293 178.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -87.43 5.6 5.53 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.398 2.065 . . . . 0.0 112.357 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.83 HH12 ' HB3' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -88.14 -16.08 34.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.467 -175.618 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -97.1 -16.23 20.6 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.223 0.535 . . . . 0.0 110.585 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.61 -29.53 30.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.96 -174.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.437 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 81.5 m -68.46 -53.2 17.99 Favored Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.603 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 71.9 Cg_endo -72.92 147.7 44.27 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 121.65 1.567 . . . . 0.0 111.597 176.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.89 175.35 4.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.568 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.517 ' H ' ' HG ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.63 66.84 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.389 0.614 . . . . 0.0 110.363 178.671 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.85 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.728 -1.123 . . . . 0.0 108.76 -177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.84 -156.69 22.25 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.316 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HG3' ' HA ' ' A' ' 56' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.201 0 CA-C-O 118.259 -0.876 . . . . 0.0 109.946 177.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.625 -0.59 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.3 -53.89 2.13 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 123.005 2.47 . . . . 0.0 112.157 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 -50.59 9.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.374 178.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.89 99.35 1.14 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.899 177.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.34 126.78 54.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.598 0.237 . . . . 0.0 110.77 -178.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -65.47 125.98 26.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.409 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.455 ' CD2' ' HB3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -127.38 146.79 50.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.6 -178.051 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -58.64 -36.7 74.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.078 0.466 . . . . 0.0 110.582 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 mtm -128.72 72.99 1.47 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.567 175.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -77.07 5.11 8.72 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.03 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' HD2' ' HA ' ' A' ' 16' ' ' LYS . 3.0 p90 -137.2 162.02 34.6 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.072 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.724 ' SG ' ' HA ' ' A' ' 31' ' ' TYR . 7.6 m -64.5 131.33 46.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.537 179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -60.09 -29.57 68.67 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.682 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -104.07 -66.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 121.503 0.668 . . . . 0.0 111.152 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.24 4.68 12.09 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -177.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HA ' ' HD2' ' A' ' 11' ' ' PHE . 0.1 OUTLIER 50.0 16.88 0.26 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 166.333 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.479 ' OD1' ' SG ' ' A' ' 12' ' ' CYS . 6.8 p-10 -83.16 155.31 23.84 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 122.119 -0.363 . . . . 0.0 110.252 178.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.553 ' HA2' HD11 ' A' ' 21' ' ' LEU . . . -134.84 -165.0 10.69 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.288 -178.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.33 -112.35 4.2 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.748 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -97.31 104.63 16.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.553 HD11 ' HA2' ' A' ' 18' ' ' GLY . 1.7 mp -122.16 174.09 7.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.145 0.498 . . . . 0.0 111.47 -177.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.501 HD11 ' HG2' ' A' ' 44' ' ' PRO . 14.6 tp -102.09 104.41 15.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.708 171.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.52 163.68 12.29 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.181 -171.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.842 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 33.7 t -69.01 -176.67 0.9 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.28 0.562 . . . . 0.0 110.559 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' N ' ' SG ' ' A' ' 24' ' ' CYS . 12.9 t70 -108.91 -41.01 4.85 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.228 176.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -92.18 -26.71 18.09 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.406 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.51 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -119.71 155.82 54.36 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.503 -179.351 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HB3' ' CD2' ' A' ' 7' ' ' HIS . 3.9 Cg_exo -86.61 26.08 0.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.97 2.447 . . . . 0.0 112.52 -175.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.47 129.86 34.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -178.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.494 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 7.1 m -118.77 140.07 50.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 111.441 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.724 ' HA ' ' SG ' ' A' ' 12' ' ' CYS . 97.5 m-85 -141.64 -174.48 4.07 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.129 -177.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.757 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 39.1 m80 -82.24 -122.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 168.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.459 HG21 HG22 ' A' ' 43' ' ' VAL . 4.0 pt -134.09 14.14 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.07 169.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -153.99 14.77 0.47 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -172.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.757 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.2 m -78.82 -25.58 44.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.161 0.505 . . . . 0.0 110.493 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.529 ' HB3' ' HG3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -95.51 178.93 5.32 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.615 -178.285 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.743 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 15.3 ttt180 -63.53 -54.39 43.71 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.388 179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 3.2 Cg_exo -75.45 69.87 5.76 Favored 'Trans proline' 0 C--N 1.356 0.929 0 C-N-CA 122.292 1.995 . . . . 0.0 111.553 177.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.96 144.56 54.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.652 -178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.24 164.77 12.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.368 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -93.5 -22.22 18.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.002 0.43 . . . . 0.0 110.236 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.8 172.74 12.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.913 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG22 HG21 ' A' ' 33' ' ' ILE . 10.3 t -77.78 119.49 77.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.195 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.501 ' HG2' HD11 ' A' ' 22' ' ' LEU . 13.3 Cg_endo -57.06 147.08 77.34 Favored 'Trans proline' 0 C--O 1.235 0.326 0 C-N-CA 122.926 2.417 . . . . 0.0 112.095 -179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -83.45 82.28 8.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.198 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 76.55 -63.17 3.06 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 121.248 -0.501 . . . . 0.0 113.306 177.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -66.16 110.25 2.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.935 0.398 . . . . 0.0 111.286 -177.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 55.1 t90 -174.73 146.59 0.97 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.007 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HG2' ' SG ' ' A' ' 24' ' ' CYS . 5.2 mt-30 -141.42 147.37 37.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.949 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.842 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 1.8 p -67.65 156.31 89.23 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.988 -176.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.529 ' HG3' ' HB3' ' A' ' 36' ' ' LEU . 98.6 Cg_endo -81.18 23.19 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.334 0 C-N-CA 122.509 2.139 . . . . 0.0 113.126 -176.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 52' ' ' ARG . 5.6 mtm180 -111.59 -21.69 11.6 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -177.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -84.35 -28.25 27.16 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.686 0.755 . . . . 0.0 109.334 176.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.86 127.23 31.17 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.125 179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 92.97 23.63 Favored Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 175.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -65.59 150.15 86.79 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.503 2.135 . . . . 0.0 112.537 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.88 -170.9 2.35 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.132 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.18 88.25 6.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 68.65 -72.92 0.09 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.167 -176.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -145.47 129.37 3.43 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.616 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.1 tttt . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.364 -179.633 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -67.71 -45.37 3.37 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.561 2.174 . . . . 0.0 112.053 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.544 ' HB3' ' HB2' ' A' ' 6' ' ' ASP . 0.5 OUTLIER 70.24 -58.92 0.53 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.806 0.842 . . . . 0.0 111.968 178.319 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.58 94.23 1.83 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -174.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m 65.0 52.9 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -171.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.544 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 13.7 t70 -69.25 96.53 0.85 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.712 -176.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.43 103.64 8.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.811 -177.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -69.46 105.96 2.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.161 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.456 ' SD ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -92.52 118.65 31.21 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.832 -172.149 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.73 -21.74 25.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 30' ' ' SER . 5.3 p90 -116.57 -172.56 2.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.743 172.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -91.09 157.79 17.03 Favored 'General case' 0 C--N 1.316 -0.865 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.017 -177.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' O ' ' HE3' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -70.36 -54.44 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.205 -175.55 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 35' ' ' CYS . 18.1 t -77.76 -69.52 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.637 0.256 . . . . 0.0 111.573 -174.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' ASP . 0.5 OUTLIER -94.7 69.23 3.42 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.238 176.768 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.515 ' HE3' ' O ' ' A' ' 13' ' ' ARG . 1.5 mptt -37.38 75.72 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.35 1.86 . . . . 0.0 113.464 -174.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 15' ' ' CYS . 1.5 t0 -155.43 177.2 11.63 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.192 -175.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.1 148.19 11.91 Favored Glycine 0 N--CA 1.448 -0.545 0 O-C-N 123.672 0.608 . . . . 0.0 112.688 177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.76 -57.01 1.56 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 175.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.54 115.66 24.46 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 171.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.493 ' CB ' ' HB3' ' A' ' 30' ' ' SER . 1.7 mm? -103.29 -177.05 3.26 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.504 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -112.96 139.82 48.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 177.819 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 29' ' ' SER . 62.6 m -110.9 150.52 29.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.54 -169.53 1.05 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.542 0.687 . . . . 0.0 111.786 -176.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -94.59 -8.62 37.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.665 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.5 p -118.22 -49.33 2.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.989 -175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.477 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -109.74 161.18 25.18 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.714 -172.393 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -86.05 24.01 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.059 2.506 . . . . 0.0 112.055 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.539 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 0.0 OUTLIER -75.02 152.72 38.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.361 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.595 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 46.6 m -128.2 137.08 51.88 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.974 0.416 . . . . 0.0 110.448 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -132.48 169.79 16.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.727 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.768 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 30.4 m80 -86.4 -132.3 0.06 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 169.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.409 ' H ' ' HB3' ' A' ' 32' ' ' HIS . 5.0 pt -127.73 7.94 3.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.759 0.314 . . . . 0.0 110.517 171.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -143.43 8.84 1.59 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.768 ' SG ' ' HB2' ' A' ' 32' ' ' HIS . 1.5 m -71.47 -33.56 69.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.39 0.614 . . . . 0.0 110.124 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.493 ' HG ' ' H ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -86.22 169.36 13.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.288 178.215 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -51.2 41.43 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.713 -0.221 . . . . 0.0 111.551 179.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 36' ' ' LEU . 2.7 Cg_exo -76.23 72.22 5.47 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.27 1.98 . . . . 0.0 111.517 177.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.34 134.96 57.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 HD13 ' HG3' ' A' ' 44' ' ' PRO . 1.4 mp -92.54 154.53 18.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.307 -178.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -81.8 -38.72 25.12 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.98 158.86 28.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.74 176.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.22 127.16 90.63 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.398 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HG3' HD13 ' A' ' 40' ' ' LEU . 51.5 Cg_endo -78.02 63.29 8.16 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.69 2.26 . . . . 0.0 111.623 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -77.32 113.31 14.96 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.713 -177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 124.38 -117.54 3.11 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 115.927 -0.578 . . . . 0.0 112.039 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -80.76 123.06 27.9 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 122.287 0.235 . . . . 0.0 110.472 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -171.49 131.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.558 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.78 148.02 43.27 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 51' ' ' PRO . 0.0 OUTLIER -71.48 133.5 84.96 Favored Pre-proline 0 C--N 1.319 -0.727 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -170.729 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 50' ' ' CYS . 96.4 Cg_endo -86.67 12.18 3.07 Favored 'Trans proline' 0 N--CA 1.446 -1.322 0 C-N-CA 122.963 2.442 . . . . 0.0 110.297 167.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -127.04 -70.69 0.71 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.858 -175.566 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.417 ' HB3' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -84.02 47.23 1.28 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.257 0.551 . . . . 0.0 111.324 -177.081 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 55' ' ' CYS . 0.0 OUTLIER -93.0 38.86 1.03 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.734 175.216 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.583 ' HB2' ' HD3' ' A' ' 56' ' ' PRO . 75.5 m 108.77 -65.75 0.0 OUTLIER Pre-proline 0 N--CA 1.475 0.795 0 C-N-CA 126.308 1.843 . . . . 0.0 110.85 -177.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.583 ' HD3' ' HB2' ' A' ' 55' ' ' CYS . 84.3 Cg_endo -84.81 64.88 6.47 Favored 'Trans proline' 0 C--N 1.357 0.998 0 C-N-CA 121.957 1.771 . . . . 0.0 112.215 177.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.77 -48.68 78.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.06 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.46 -71.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.218 177.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -140.58 98.25 3.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.04 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.62 121.57 9.84 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.469 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.147 -0.93 . . . . 0.0 109.523 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -63.3 98.58 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.904 2.403 . . . . 0.0 111.906 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mp -89.77 151.7 21.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.194 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.843 ' HA2' ' HB3' ' A' ' 8' ' ' HIS . . . 97.62 34.74 5.41 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.809 -178.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -71.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.724 0.297 . . . . 0.0 111.344 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -128.38 -40.88 1.59 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.221 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -114.54 68.64 0.7 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.739 0.304 . . . . 0.0 110.859 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.851 ' HD2' ' HB2' ' A' ' 28' ' ' PRO . 7.5 t-160 -176.99 108.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.756 178.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.06 91.87 3.35 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.415 -178.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.48 40.93 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.266 0.555 . . . . 0.0 110.536 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.808 ' HA ' HD21 ' A' ' 21' ' ' LEU . 37.2 p90 -166.04 167.54 16.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.853 179.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.581 ' HB2' ' H ' ' A' ' 17' ' ' ASP . 62.3 m -62.69 138.55 58.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.061 0.458 . . . . 0.0 111.691 -176.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -68.3 -31.7 71.32 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.067 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.3 t -99.37 -67.95 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.317 0.58 . . . . 0.0 110.875 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.97 7.68 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 12' ' ' CYS . 4.1 mttm 38.13 36.12 0.1 Allowed 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 168.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.581 ' H ' ' HB2' ' A' ' 12' ' ' CYS . 6.3 p-10 -113.46 173.16 6.54 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.642 0.258 . . . . 0.0 111.646 -173.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.771 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . -135.26 -161.31 9.31 Favored Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.638 177.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.41 -105.59 3.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.849 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.82 70.93 5.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD21 ' HA ' ' A' ' 11' ' ' PHE . 1.8 tp -109.95 142.58 41.11 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.151 -172.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.577 HD13 ' HG2' ' A' ' 44' ' ' PRO . 0.1 OUTLIER -112.5 136.25 52.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.987 176.646 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.18 141.21 52.25 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.943 -178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.853 ' HB3' ' HA ' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -68.42 168.74 12.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.507 0.67 . . . . 0.0 111.718 -177.355 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -90.55 -10.5 43.27 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.684 175.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.23 -36.96 6.4 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.925 -169.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 1.037 ' HB3' ' HB3' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -137.57 157.21 74.18 Favored Pre-proline 0 C--N 1.329 -0.303 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.052 179.238 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.851 ' HB2' ' HD2' ' A' ' 8' ' ' HIS . 84.5 Cg_endo -85.13 59.85 5.45 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.608 2.205 . . . . 0.0 112.913 -174.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 m -119.56 167.1 12.32 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 175.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 16.4 m -146.83 150.47 35.35 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -176.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.87 ' HD1' ' HB2' ' A' ' 35' ' ' CYS . 93.5 m-85 -146.41 -178.29 6.08 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.872 -178.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.81 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 22.8 m80 -79.07 -116.77 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 166.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.446 HG22 ' HD2' ' A' ' 44' ' ' PRO . 16.1 pt -137.06 15.5 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.968 169.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -161.59 24.03 0.12 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -173.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.87 ' HB2' ' HD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -89.78 -19.96 24.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.702 0.763 . . . . 0.0 109.943 -178.224 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.05 -142.27 0.3 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.619 -175.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.553 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -59.26 176.12 0.31 Allowed Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 123.316 0.646 . . . . 0.0 110.634 176.702 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.553 ' HD2' ' HB3' ' A' ' 37' ' ' ARG . 61.9 Cg_exo -19.86 108.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.367 1.535 1 C-N-CA 125.318 4.012 . . . . 0.0 114.739 -179.095 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.79 138.79 4.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.409 -1.269 . . . . 0.0 112.947 -173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -81.45 130.22 34.96 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.62 175.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.33 -19.87 52.6 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.966 0.412 . . . . 0.0 110.632 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -127.74 151.92 48.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.231 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.04 120.83 70.26 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.577 ' HG2' HD13 ' A' ' 22' ' ' LEU . 9.4 Cg_endo -60.3 131.35 38.17 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.495 2.13 . . . . 0.0 112.332 -175.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -125.11 132.3 53.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.147 -178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 106.38 -153.91 16.91 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.745 -176.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -76.81 90.39 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.988 0.423 . . . . 0.0 110.712 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.488 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 79.5 t90 -97.93 148.82 23.07 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.521 177.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.853 ' HA ' ' HB3' ' A' ' 24' ' ' CYS . 21.3 mt-30 -137.97 137.5 38.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.545 0.212 . . . . 0.0 110.537 -179.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 52' ' ' ARG . 0.7 OUTLIER -81.76 167.4 31.41 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.37 178.708 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -80.86 14.19 2.13 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.463 2.109 . . . . 0.0 112.525 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' HB2' ' SG ' ' A' ' 50' ' ' CYS . 4.1 mmt180 -113.34 -20.56 11.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.037 ' HB3' ' HB3' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -70.69 -56.2 6.95 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.647 177.363 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.06 62.06 2.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.623 175.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.6 t -88.52 114.99 62.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.759 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -81.18 45.89 2.11 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.789 2.326 . . . . 0.0 112.448 -178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.64 68.66 0.81 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.101 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 67.2 mt -63.95 -33.78 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.884 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -129.26 -52.55 1.19 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.445 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.28 108.65 0.32 Allowed Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.237 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.485 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.045 -0.978 . . . . 0.0 109.855 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_