data_2jz8_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 2jz8 _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 ' 6' ' ' ILE . . . . . 0.598 HD13 ' HB2' ' A' ' 26' ' ' MET . 13.5 pt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.292 0.091 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.33 145.96 53.35 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.262 2.642 . . . . 0.0 113.675 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 26' ' ' MET . 97.8 m-70 -125.13 141.25 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.851 177.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.561 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 74.0 m-85 -115.71 154.91 28.71 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.515 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 9.6 pt20 . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.061 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 56' ' ' THR . 11.5 m-30 -82.39 139.87 33.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -69.47 -30.31 68.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.906 -170.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -127.79 110.47 22.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 26.7 mm -105.61 130.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.35 0.595 . . . . 0.0 112.597 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -91.45 121.55 33.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.839 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' HE1' ' A' ' 43' ' ' MET . 46.4 pt -127.67 148.3 32.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.825 0.345 . . . . 0.0 111.018 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.96 14.31 57.3 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.606 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.7 m -121.79 147.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.694 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 58.1 mttp -101.95 -0.12 34.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.911 0.386 . . . . 0.0 111.06 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -117.03 124.05 48.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.561 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 73.4 t80 -146.95 147.17 30.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.261 0.553 . . . . 0.0 111.624 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.598 ' HB2' HD13 ' A' ' 6' ' ' ILE . 13.4 tpt -131.22 116.6 17.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.433 173.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.85 139.63 55.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.443 -175.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.844 179.305 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.492 HG21 ' HD2' ' A' ' 52' ' ' PRO . 9.2 tp -148.15 150.94 13.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.42 175.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.458 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 8.3 p90 -91.19 134.37 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.611 0.243 . . . . 0.0 110.372 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.89 134.2 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.037 0.446 . . . . 0.0 111.524 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -134.03 150.52 51.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.694 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 52.6 mtt -97.49 -70.84 0.71 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.079 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.73 -106.52 1.58 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.11 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.8 m -92.82 -11.6 33.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.182 0.515 . . . . 0.0 110.606 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.1 p -108.24 100.48 9.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.358 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.894 ' HB3' ' HB3' ' A' ' 60' ' ' TYR . 25.2 m-20 -81.79 -1.92 49.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.249 0.547 . . . . 0.0 110.438 -177.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.66 109.05 17.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.295 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -141.41 116.83 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.89 0.376 . . . . 0.0 111.423 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.623 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 14.2 tt -90.23 153.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.789 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 52.5 t -93.68 121.52 64.48 Favored Pre-proline 0 C--N 1.321 -0.644 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.537 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.492 ' HD2' HG21 ' A' ' 39' ' ' ILE . 54.7 Cg_exo -52.82 128.58 29.14 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 122.928 2.418 . . . . 0.0 111.659 176.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 61.09 56.19 2.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.977 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.0 m -157.87 -46.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.248 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.411 ' C ' ' HG1' ' A' ' 56' ' ' THR . 30.8 m 61.54 85.37 0.12 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.486 0.66 . . . . 0.0 109.353 -171.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 8.4 m -168.88 47.71 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -167.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.623 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 4.2 tt -53.17 107.01 0.19 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.943 -168.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.789 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 74.1 m-85 -79.75 104.37 10.29 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.514 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -107.34 128.4 54.42 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.4 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.894 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . 42.8 t80 -95.45 122.81 38.56 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 13.3 t70 -122.85 133.76 24.65 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.323 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 69.5 Cg_exo -53.32 -26.04 33.25 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 123.342 2.694 . . . . 0.0 113.996 -177.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.4 p -75.53 -17.28 60.13 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.237 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 61' ' ' ASP . 1.8 pp -118.46 144.79 45.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -122.81 -168.75 1.8 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.09 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -61.48 -22.4 65.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.103 0.478 . . . . 0.0 111.431 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -91.51 7.22 42.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.398 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -132.66 176.25 8.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.998 0.428 . . . . 0.0 111.177 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 t -161.92 -148.22 0.14 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.317 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.408 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 3.7 p-10 -100.78 167.97 10.0 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.557 0.218 . . . . 0.0 111.066 -173.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.44 ' O ' ' HB ' ' A' ' 72' ' ' THR . 47.5 Cg_exo -56.88 130.56 40.49 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.631 2.221 . . . . 0.0 111.547 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 51.1 m 76.53 137.74 0.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.858 0.724 . . . . 0.0 110.587 -173.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.41 82.72 0.46 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.988 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.1 m -89.63 13.78 13.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.942 0.401 . . . . 0.0 111.104 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.93 135.44 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.515 ' HD1' ' HB3' ' A' ' 10' ' ' GLN . 62.7 t80 -81.2 124.74 29.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.513 -174.615 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.9 pt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.42 99.65 0.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.374 2.049 . . . . 0.0 111.65 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.408 ' CD2' ' H ' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -90.35 119.11 30.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.304 0.573 . . . . 0.0 110.789 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.405 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 95.2 m-85 -102.4 173.08 6.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.996 -176.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.841 -178.573 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 119.9 -0.389 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.459 ' HB2' HD12 ' A' ' 18' ' ' ILE . 18.3 m-85 65.9 113.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.311 0.576 . . . . 0.0 111.158 -175.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.91 -50.53 62.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.257 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.0 mt -122.36 110.84 28.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.596 -0.441 . . . . 0.0 109.912 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.47 HG13 HG21 ' A' ' 56' ' ' THR . 17.9 mt -108.0 123.64 63.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.398 176.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' HG3' ' HB3' ' A' ' 59' ' ' ARG . 30.6 mp0 -91.29 138.21 31.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.992 0.425 . . . . 0.0 110.778 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.2 pt -137.7 157.14 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.49 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.08 28.17 17.26 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.105 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 t -127.5 142.85 42.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -87.35 -29.57 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.721 0.296 . . . . 0.0 111.69 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.448 ' HB3' ' HZ ' ' A' ' 40' ' ' PHE . 30.0 mt-10 -124.79 115.74 21.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.938 0.399 . . . . 0.0 110.803 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.405 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 45.2 t80 -145.03 141.12 28.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.387 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.702 ' HB2' ' HD1' ' A' ' 40' ' ' PHE . 19.6 ttt -125.41 132.27 52.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.445 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 78.2 m -61.16 123.82 18.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.167 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.154 175.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.542 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 10.9 m-70 . . . . . 0 CA--C 1.524 -0.025 0 CA-C-O 120.928 0.394 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.4 tt -128.87 169.79 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.453 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.702 ' HD1' ' HB2' ' A' ' 26' ' ' MET . 92.5 t80 -84.01 125.86 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.428 HG23 ' CD ' ' A' ' 49' ' ' LYS . 3.7 mp -98.81 107.35 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.469 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.28 139.83 46.35 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.442 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 47.3 mtm -111.37 39.23 2.36 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.187 0.517 . . . . 0.0 110.935 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.87 -23.35 57.85 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 p -83.92 -64.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.165 -0.518 . . . . 0.0 110.493 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.8 p -120.93 150.77 40.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.005 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.8 15.59 3.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.221 0.534 . . . . 0.0 111.49 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HB2' HD21 ' A' ' 57' ' ' LEU . 10.4 pt-20 -153.48 133.24 13.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.161 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' CD ' HG23 ' A' ' 41' ' ' ILE . 8.3 tttp -143.92 123.8 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.263 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.543 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 11.3 tt -84.31 157.52 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 175.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.89 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 48.5 t -104.72 112.0 65.27 Favored Pre-proline 0 C--N 1.33 -0.265 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.63 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 4.4 Cg_endo -47.65 -47.16 18.96 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.065 2.51 . . . . 0.0 111.75 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -101.74 79.51 1.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.26 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.685 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.3 m 164.49 -46.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 O-C-N 124.167 0.917 . . . . 0.0 110.954 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 19.3 m 77.14 -151.28 0.03 OUTLIER 'General case' 0 C--N 1.341 0.222 0 N-CA-C 104.894 -2.262 . . . . 0.0 104.894 -150.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.47 HG21 HG13 ' A' ' 18' ' ' ILE . 28.8 m 83.0 77.96 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 119.083 0.856 . . . . 0.0 109.127 165.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.543 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 9.3 tt -66.63 100.32 0.67 Allowed 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.655 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.89 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 73.2 m-85 -69.5 99.69 1.29 Allowed 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 1.5 tpt180 -93.81 114.16 26.35 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.933 -174.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.442 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 69.6 t80 -74.96 110.3 9.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 173.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' HB3' HD11 ' A' ' 64' ' ' LEU . 14.2 t70 -111.95 123.77 33.8 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.901 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.12 -2.84 12.87 Favored 'Trans proline' 0 CA--C 1.528 0.19 0 C-N-CA 122.604 2.203 . . . . 0.0 113.417 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.0 t -102.83 -9.94 19.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 61' ' ' ASP . 75.0 mt -79.55 -166.19 0.93 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.157 0.503 . . . . 0.0 110.199 175.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -154.06 -176.47 5.87 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -81.85 -11.96 58.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.49 0.662 . . . . 0.0 109.609 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -99.99 -7.51 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.042 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -117.44 162.1 18.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.37 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.3 t -174.5 -141.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.275 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -100.43 145.78 30.88 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 123.316 0.646 . . . . 0.0 110.105 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.41 ' O ' ' HB ' ' A' ' 72' ' ' THR . 89.0 Cg_exo -45.21 168.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 124.459 3.439 . . . . 0.0 115.729 -176.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 84.2 m 76.94 -57.91 0.52 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.433 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.81 74.1 0.26 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.081 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.3 m -88.23 37.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.932 0.396 . . . . 0.0 110.802 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.89 129.91 36.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.881 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -81.39 97.72 7.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.484 . . . . 0.0 110.168 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.273 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.3 pt . . . . . 0 C--O 1.236 0.362 0 N-CA-C 110.512 -0.181 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.15 141.98 97.3 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.706 2.27 . . . . 0.0 111.803 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.747 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 27.6 m-70 -90.56 117.29 29.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.46 -173.99 2.46 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.064 -176.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.72 ' HG2' ' HB2' ' A' ' 76' ' ' TYR . 36.6 mt-30 . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.2 0 N-CA-C 113.939 0.336 . . . . 0.0 113.939 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.438 ' CE1' ' HA3' ' A' ' 73' ' ' GLY . 7.4 m-85 -121.24 148.26 44.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.214 0.507 . . . . 0.0 111.59 -175.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 55' ' ' SER . 98.0 mttt -108.91 -22.04 12.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.396 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.93 110.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.769 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.5 mt -106.74 125.09 62.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.865 0.84 . . . . 0.0 111.695 175.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -91.25 137.45 32.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.411 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 pt -135.17 153.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.969 0.414 . . . . 0.0 111.289 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.89 12.62 53.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.748 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.3 m -131.36 165.3 31.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -100.3 -14.88 18.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.658 0.266 . . . . 0.0 111.256 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -103.81 112.22 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -142.2 157.42 44.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.53 ' HG2' ' HB3' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -146.98 136.76 23.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -177.848 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 71.3 m -68.57 98.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -171.867 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.828 ' HE1' ' HB3' ' A' ' 54' ' ' CYS . 81.4 m-70 . . . . . 0 CA--C 1.516 -0.327 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 tp -87.62 152.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 -177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.53 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 27.8 p90 -81.52 149.04 28.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.378 176.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.451 HD11 ' HB2' ' A' ' 51' ' ' CYS . 1.8 mp -106.71 111.5 35.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.416 0.627 . . . . 0.0 111.175 -175.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -107.61 108.1 19.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 170.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.4 ttm -80.86 93.96 6.38 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.932 0.396 . . . . 0.0 110.643 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.14 -100.1 0.93 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.064 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -96.73 31.06 2.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 111.371 -175.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m -133.64 147.83 51.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -74.49 -17.53 60.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.134 0.492 . . . . 0.0 110.245 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' HB2' HD22 ' A' ' 57' ' ' LEU . 9.5 pt-20 -137.08 158.19 45.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.207 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 14.3 mmtm -152.45 140.32 20.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.739 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 55' ' ' SER . 14.0 tt -128.42 151.35 35.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.199 0.523 . . . . 0.0 111.745 -175.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.477 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 41.5 t -93.81 106.42 21.59 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 171.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.8 -16.95 47.41 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.171 2.58 . . . . 0.0 113.112 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -89.35 15.78 8.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.836 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.828 ' HB3' ' HE1' ' A' ' 38' ' ' HIS . 20.8 p -156.6 -39.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.792 ' HA ' HD12 ' A' ' 50' ' ' ILE . 69.7 m 69.28 97.73 0.06 Allowed 'General case' 0 C--N 1.337 0.055 0 O-C-N 123.787 0.679 . . . . 0.0 109.45 -169.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.479 ' HA ' ' C ' ' A' ' 16' ' ' LYS . 8.9 m -158.48 42.95 0.27 Allowed 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 -171.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 48' ' ' GLU . 7.7 tt -40.67 116.69 0.73 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.991 -166.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.769 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 87.2 m-85 -91.97 113.09 25.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.985 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -118.63 141.52 48.51 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.798 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -93.46 114.09 26.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.02 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -116.05 130.92 24.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.08 -6.09 13.75 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.042 2.495 . . . . 0.0 113.665 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -81.5 -11.56 59.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.174 0.511 . . . . 0.0 110.471 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.3 mt -92.76 -165.94 1.44 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.534 ' HB3' ' OE1' ' A' ' 68' ' ' GLN . 37.0 t -145.72 166.43 25.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.604 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -80.51 2.95 23.23 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -119.54 5.46 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.23 0.538 . . . . 0.0 109.988 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.534 ' OE1' ' HB3' ' A' ' 65' ' ' SER . 21.5 mp0 -124.31 179.35 4.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.491 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 t -156.93 -118.35 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.897 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -100.66 151.32 37.55 Favored Pre-proline 0 N--CA 1.45 -0.472 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.34 131.21 19.95 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.93 2.42 . . . . 0.0 113.245 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 m 75.35 -59.66 0.53 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.716 173.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.438 ' HA3' ' CE1' ' A' ' 15' ' ' TYR . . . -81.21 55.97 4.84 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.469 -173.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.3 p -150.19 163.85 37.19 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.65 -0.324 . . . . 0.0 110.99 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.747 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 13.2 mt 72.31 103.01 0.07 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 124.257 0.973 . . . . 0.0 112.823 173.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.72 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . 64.3 t80 -116.25 97.16 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.043 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.667 178.578 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.5 pt . . . . . 0 C--O 1.236 0.386 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.34 122.3 11.26 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.653 2.235 . . . . 0.0 112.202 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -95.7 142.1 28.4 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 15.6 m-85 -111.76 165.38 12.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.794 0.33 . . . . 0.0 111.568 -171.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.556 ' HG2' ' N ' ' A' ' 75' ' ' LEU . 4.0 pt20 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.857 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.852 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -143.62 -1.44 1.01 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -72.62 -29.31 63.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.353 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.77 110.5 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.614 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 62.3 mt -125.02 129.25 73.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.194 0.521 . . . . 0.0 111.277 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.528 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 41.4 mt-10 -91.36 150.12 21.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 37.7 pt -141.19 161.55 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.189 0.518 . . . . 0.0 111.364 -175.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -117.89 24.72 8.77 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.259 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 66' ' ' TYR . 35.2 m -119.73 157.94 21.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.725 -0.237 . . . . 0.0 110.371 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.51 -26.77 11.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.084 0.469 . . . . 0.0 110.944 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.13 122.5 45.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.613 ' CE2' ' HB ' ' A' ' 41' ' ' ILE . 32.7 p90 -147.74 165.04 31.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.805 0.336 . . . . 0.0 111.084 -174.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.536 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 21.8 ttt -140.97 126.2 18.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.071 176.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.45 135.53 47.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.096 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.24 0.564 0 CA-C-O 121.413 0.625 . . . . 0.0 112.072 -175.446 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HE1' ' O ' ' A' ' 52' ' ' PRO . 13.9 t-160 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.0 tt -148.3 155.44 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.506 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.536 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 36.5 p90 -103.85 137.38 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.35 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.613 ' HB ' ' CE2' ' A' ' 25' ' ' PHE . 40.5 mt -127.72 148.19 32.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.143 -178.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -113.51 159.9 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.698 0.285 . . . . 0.0 110.257 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.602 ' HG3' ' HE1' ' A' ' 25' ' ' PHE . 51.5 mtt -120.26 39.8 3.62 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.66 -13.23 80.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.472 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -112.82 -61.22 1.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -116.91 151.15 37.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.482 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -90.0 -7.92 52.84 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 50.6 mt-10 -128.81 120.44 26.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.577 177.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -142.37 128.7 19.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.523 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.5 tt -87.76 154.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.686 ' HB3' ' O ' ' A' ' 55' ' ' SER . 35.8 t -93.91 123.24 60.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.426 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 36.8 Cg_exo -60.09 153.02 61.21 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.433 2.089 . . . . 0.0 112.276 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 75.96 -16.55 0.59 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 173.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.8 p -153.58 16.96 0.53 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.686 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 68.4 m 62.57 -153.68 0.34 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 55' ' ' SER . 18.4 m 94.93 73.7 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 124.429 1.092 . . . . 0.0 108.793 -176.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 6.5 tt -73.42 99.87 3.08 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.732 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.614 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 91.8 m-85 -75.54 122.34 23.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.97 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.528 ' HD2' ' OE1' ' A' ' 19' ' ' GLU . 38.2 ttm180 -117.26 111.29 19.21 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.568 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 71.5 t80 -81.68 105.43 12.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.464 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 9.3 t70 -103.66 128.64 26.94 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 35.8 Cg_exo -61.58 -15.63 42.84 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.268 2.645 . . . . 0.0 113.879 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.9 p -89.25 -6.36 56.87 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.069 0.462 . . . . 0.0 110.493 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 69' ' ' THR . 94.4 mt -92.6 -169.67 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.034 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.459 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 45.3 m -152.19 -177.57 6.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.685 0.278 . . . . 0.0 110.776 -178.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.422 ' CD2' HG13 ' A' ' 22' ' ' VAL . 68.8 m-85 -83.74 -20.35 33.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.921 0.391 . . . . 0.0 110.587 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -87.39 -34.44 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.995 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.811 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -114.94 116.52 28.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.027 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.542 ' O ' HD12 ' A' ' 64' ' ' LEU . 6.6 t -92.8 -55.03 3.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.819 -173.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.876 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 3.1 p-10 -140.43 173.29 5.12 Favored Pre-proline 0 C--N 1.315 -0.922 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -177.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.876 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 11.9 Cg_endo -55.0 145.35 63.81 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.597 2.198 . . . . 0.0 112.383 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 86.7 m 80.7 -20.96 0.35 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.631 0.582 . . . . 0.0 110.844 -177.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.14 -70.71 0.2 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.49 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 92.4 m 55.9 83.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.509 0.671 . . . . 0.0 112.704 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.556 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 3.6 pp -138.48 143.08 39.43 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.338 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -118.23 96.95 5.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.271 0.558 . . . . 0.0 110.202 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.448 179.671 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.7 pt . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -63.35 128.51 22.76 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.574 2.183 . . . . 0.0 111.551 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.947 ' HD1' ' HB3' ' A' ' 76' ' ' TYR . 5.0 p80 -96.34 128.62 43.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.347 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -115.51 166.22 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.283 0.564 . . . . 0.0 112.303 -171.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.888 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 120.184 -0.231 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.457 ' HA ' HD12 ' A' ' 18' ' ' ILE . 59.7 t80 77.99 -31.5 0.16 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.863 0.865 . . . . 0.0 111.515 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -66.41 -44.69 82.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.007 0.432 . . . . 0.0 110.628 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.509 HG22 ' HB3' ' A' ' 57' ' ' LEU . 75.4 mt -132.94 111.84 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.916 176.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 64.9 mt -118.49 123.63 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.22 0.533 . . . . 0.0 112.234 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.709 ' HG3' ' HB2' ' A' ' 59' ' ' ARG . 37.7 mp0 -90.87 131.29 36.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.488 HD11 ' HB ' ' A' ' 22' ' ' VAL . 36.3 pt -136.9 151.15 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -94.18 29.95 8.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.374 174.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.488 ' HB ' HD11 ' A' ' 20' ' ' ILE . 31.0 t -114.29 122.49 68.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.552 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 83.0 tttt -83.99 -13.99 51.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.842 0.353 . . . . 0.0 111.343 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -141.08 109.49 5.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.264 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -134.75 157.98 45.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.641 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -140.52 156.38 46.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.486 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.454 ' N ' ' SD ' ' A' ' 26' ' ' MET . 91.4 m -73.1 123.54 23.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.076 0.465 . . . . 0.0 112.108 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.923 176.749 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 83.9 m-70 . . . . . 0 CA--C 1.518 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 40' ' ' PHE . 11.2 tp -142.55 162.42 18.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.288 -174.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' HG13 ' A' ' 39' ' ' ILE . 43.7 p90 -91.92 141.85 28.19 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.87 123.03 67.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.703 0.287 . . . . 0.0 110.278 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -121.43 141.94 50.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.899 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.623 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 2.0 mpt? -107.5 33.97 3.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.0 -83.51 0.11 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.085 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.6 m -84.47 -15.35 46.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.906 0.384 . . . . 0.0 110.789 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.532 ' O ' ' HA ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -111.23 114.38 27.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.356 -178.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -74.66 -26.35 59.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 8.1 pt-20 -141.29 127.39 19.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.219 0.533 . . . . 0.0 111.292 176.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -130.87 131.32 44.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.872 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.525 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 14.5 tt -88.81 159.66 2.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 173.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 40.6 t -99.05 114.41 65.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.045 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 7.5 Cg_endo -50.49 -35.04 44.36 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.095 2.53 . . . . 0.0 111.722 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 97.0 m-85 -113.2 84.96 2.09 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.536 173.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.8 m 154.46 -37.78 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.433 1.093 . . . . 0.0 111.232 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.545 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 28.2 m 73.99 -149.18 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 106.085 -1.821 . . . . 0.0 106.085 -153.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 55' ' ' SER . 28.6 m 84.45 79.65 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 172.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 2.9 tt -70.72 99.96 1.79 Allowed 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.125 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.522 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 90.3 m-85 -76.66 103.64 6.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.014 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.709 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 82.5 mtt180 -93.89 119.53 32.94 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.352 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.623 ' HB2' ' HG2' ' A' ' 43' ' ' MET . 88.7 t80 -107.14 103.93 13.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.161 0.505 . . . . 0.0 109.811 174.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -108.77 140.79 22.18 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.77 -9.47 9.6 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.914 2.409 . . . . 0.0 113.771 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.4 m -85.15 -15.54 43.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.09 0.472 . . . . 0.0 110.166 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.7 mt -91.25 149.55 21.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.786 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.413 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 37.1 t -127.94 174.64 9.01 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -67.97 -12.64 61.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.026 0.441 . . . . 0.0 111.013 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -96.71 -2.95 43.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.273 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -128.15 160.68 31.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.561 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -170.63 -131.37 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.912 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.542 ' CG ' ' HD2' ' A' ' 71' ' ' PRO . 21.0 t-20 -100.43 153.13 37.92 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 70' ' ' ASN . 65.4 Cg_exo -27.97 136.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 124.786 3.657 . . . . 0.0 114.427 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.9 m -48.12 128.02 13.32 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.94 -172.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.94 35.52 0.89 Allowed Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -169.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 2.2 p -124.17 -11.1 7.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.797 -0.701 . . . . 0.0 112.15 -173.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 145.55 27.09 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.947 ' HB3' ' HD1' ' A' ' 8' ' ' HIS . 76.6 t80 -81.32 100.03 8.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 110.785 -177.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.3 p30 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.1 -0.955 . . . . 0.0 108.857 171.156 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 pt . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.475 0.178 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -52.47 141.54 51.21 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.05 2.5 . . . . 0.0 112.321 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 76' ' ' TYR . 34.7 m170 -92.95 112.17 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.301 0.572 . . . . 0.0 111.211 -176.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 76' ' ' TYR . 89.3 m-85 -104.31 -174.04 2.45 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.975 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 120.953 0.406 . . . . 0.0 111.237 -170.9 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.826 -0.11 . . . . 0.0 112.826 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.35 127.1 38.82 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.688 ' HA ' ' O ' ' A' ' 55' ' ' SER . 76.6 mttt -81.96 -5.92 58.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -172.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.423 HG22 ' HB3' ' A' ' 57' ' ' LEU . 65.4 mt -139.06 110.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 171.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.664 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 30.2 mt -124.92 131.82 72.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.204 0.526 . . . . 0.0 112.222 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -91.41 142.49 27.62 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.498 ' HA ' ' HA ' ' A' ' 69' ' ' THR . 23.9 pt -138.27 158.2 31.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.655 0.264 . . . . 0.0 110.745 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.603 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -96.93 -14.9 41.19 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.141 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG21 HD12 ' A' ' 20' ' ' ILE . 19.0 m -82.27 142.57 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 0.0 110.643 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HE3' ' HB2' ' A' ' 23' ' ' LYS . 23.2 ttmt -96.99 -6.42 35.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.487 0.661 . . . . 0.0 110.219 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.08 129.59 36.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.743 172.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -148.1 149.99 33.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.286 0.565 . . . . 0.0 111.033 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -146.75 140.34 25.79 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.1 m -55.47 119.64 5.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -172.376 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.588 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 14.3 t-160 . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.5 tp -148.41 153.86 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -90.89 138.69 31.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.79 0.329 . . . . 0.0 110.5 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -127.86 128.56 69.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.765 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.76 137.59 43.56 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.449 ' HE3' HD13 ' A' ' 20' ' ' ILE . 0.5 OUTLIER -76.7 -63.36 1.36 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.015 0.436 . . . . 0.0 110.636 178.585 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.37 -79.07 1.08 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.282 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.4 t -117.14 -41.05 3.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.704 0.287 . . . . 0.0 110.333 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 p -85.83 125.04 32.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.931 0.396 . . . . 0.0 110.752 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -80.7 -18.92 46.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.882 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 122.13 36.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.733 0.778 . . . . 0.0 111.909 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -134.05 -170.65 2.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.68 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 tt -137.92 155.69 30.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.846 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 49.7 t -93.83 105.85 18.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -62.27 133.83 45.53 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.634 2.222 . . . . 0.0 111.452 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.503 ' HB2' ' HE2' ' A' ' 38' ' ' HIS . 85.1 m-85 70.01 29.64 3.83 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.505 0.503 . . . . 0.0 110.542 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 13.9 m -147.83 -48.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.398 174.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.688 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 25.2 m 66.91 97.98 0.05 Allowed 'General case' 0 C--N 1.34 0.158 0 O-C-N 123.891 0.744 . . . . 0.0 109.74 -173.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.34 40.45 0.1 Allowed 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -169.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.423 ' HB3' HG22 ' A' ' 17' ' ' ILE . 5.3 tt -33.96 100.05 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.712 1.257 . . . . 0.0 111.66 -168.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.846 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 84.9 m-85 -82.7 106.27 14.42 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.759 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -112.54 114.66 27.42 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.986 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -76.25 109.03 9.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 14.6 t70 -91.02 132.68 33.68 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 37.0 Cg_exo -61.7 -12.29 24.42 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.864 2.376 . . . . 0.0 113.414 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 m -87.76 -9.52 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 110.721 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 90.6 mt -96.73 146.24 25.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.941 0.4 . . . . 0.0 110.877 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.603 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 15.1 m -94.94 167.59 11.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.486 175.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -64.72 -17.64 64.31 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -92.46 -3.48 55.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.237 0.541 . . . . 0.0 110.253 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -109.99 -179.27 3.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.439 0.638 . . . . 0.0 111.78 -174.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 20' ' ' ILE . 7.9 t -168.25 -142.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.779 -175.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.821 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -100.37 -178.93 0.74 Allowed Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 176.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.821 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 80.3 Cg_exo -22.84 107.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 124.038 3.158 . . . . 0.0 113.461 -176.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.7 t -62.69 92.93 0.05 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.442 1.115 . . . . 0.0 112.43 -166.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -166.59 21.25 0.11 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.727 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 37.9 t -114.59 24.04 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.697 . . . . 0.0 109.948 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.35 139.21 37.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.285 177.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 6.4 t80 -84.65 94.63 8.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.083 0.468 . . . . 0.0 109.867 -178.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.659 178.023 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.4 pt . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.58 0.229 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -81.93 -175.48 2.57 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 123.34 2.694 . . . . 0.0 113.175 -176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -90.74 124.53 35.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.017 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.656 ' HZ ' HG21 ' A' ' 18' ' ' ILE . 3.7 t80 -102.18 -174.3 2.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.203 -172.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.726 HE21 ' HB2' ' A' ' 76' ' ' TYR . 17.4 mm-40 . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.66 0 N-CA-C 111.896 -0.482 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.457 ' HB2' HD11 ' A' ' 18' ' ' ILE . 42.0 m-85 -143.41 136.73 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -177.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.578 ' HA ' ' O ' ' A' ' 55' ' ' SER . 57.7 mttp -82.17 -9.14 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.3 mt -137.94 110.87 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.656 HG21 ' HZ ' ' A' ' 9' ' ' PHE . 30.0 mm -112.04 130.68 65.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.533 0.682 . . . . 0.0 112.508 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -91.31 137.69 32.16 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 171.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.457 HG23 HG23 ' A' ' 18' ' ' ILE . 21.3 pt -140.1 159.6 26.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 111.832 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.2 21.7 9.99 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.207 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.523 HG13 ' CD2' ' A' ' 66' ' ' TYR . 34.1 m -112.82 148.34 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -96.54 -13.08 23.24 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -143.22 131.34 21.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.791 0.329 . . . . 0.0 111.185 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -166.01 136.05 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.41 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.493 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 24.2 ttt -104.09 126.51 51.25 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.624 ' SG ' ' HB3' ' A' ' 38' ' ' HIS . 34.7 t -54.22 120.98 7.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.494 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.626 -179.023 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.624 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 3.7 t-80 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.729 0.3 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.527 ' H ' ' CG ' ' A' ' 38' ' ' HIS . 31.3 mm -87.31 136.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 121.745 -0.597 . . . . 0.0 111.554 -164.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 36.9 p90 -72.52 134.14 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.238 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 ' HD3' ' A' ' 49' ' ' LYS . 82.3 mt -116.78 87.6 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.988 0.899 . . . . 0.0 110.349 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.72 134.11 34.01 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.642 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.9 mtp -99.08 21.52 11.63 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.542 0.687 . . . . 0.0 110.481 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.06 -2.92 68.32 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 172.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -102.97 -31.74 10.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.271 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.5 153.8 34.19 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.72 -21.97 37.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.322 0.582 . . . . 0.0 110.226 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -134.92 109.03 8.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.433 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.497 ' HD3' HG22 ' A' ' 41' ' ' ILE . 50.5 tttt -117.49 119.01 33.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.154 0.502 . . . . 0.0 110.451 -175.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.542 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 14.1 tt -84.97 153.74 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.841 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.431 ' HB2' HD12 ' A' ' 41' ' ' ILE . 49.4 t -93.53 105.7 17.39 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' A' ' 50' ' ' ILE . 27.1 Cg_exo -62.3 141.06 86.17 Favored 'Trans proline' 0 CA--C 1.519 -0.228 0 C-N-CA 122.864 2.376 . . . . 0.0 111.549 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 68.26 20.93 8.64 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.593 0.558 . . . . 0.0 110.921 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.617 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 55.9 m -142.12 -53.72 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.966 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 45.5 m 70.95 101.05 0.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.882 0.738 . . . . 0.0 109.871 -171.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -164.85 32.69 0.06 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -171.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 3.2 tt -36.04 102.97 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.123 -1.398 . . . . 0.0 112.101 -164.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.601 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 95.5 m-85 -84.67 113.71 21.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.299 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -114.22 139.84 49.06 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.916 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -89.95 137.54 32.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.319 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -135.05 132.11 20.13 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.969 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.34 -22.29 74.18 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.344 2.696 . . . . 0.0 113.71 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.0 t -79.59 -16.61 55.55 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.232 0.539 . . . . 0.0 110.252 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.4 mt -90.43 166.24 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.713 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.5 m -151.59 -179.3 7.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -175.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.523 ' CD2' HG13 ' A' ' 22' ' ' VAL . 55.5 m-85 -76.4 -19.37 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -80.54 -4.7 54.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 0.0 111.23 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -144.78 -169.03 3.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.743 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.453 HG23 ' OD1' ' A' ' 70' ' ' ASN . 4.6 t -153.08 -66.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.938 176.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' OD1' HG23 ' A' ' 69' ' ' THR . 3.8 p-10 -145.96 166.91 15.52 Favored Pre-proline 0 C--N 1.31 -1.124 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 -170.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.29 119.75 7.0 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.862 2.375 . . . . 0.0 110.752 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.1 m 68.4 82.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -167.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.94 130.1 50.33 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.063 -0.971 . . . . 0.0 113.727 -173.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 10' ' ' GLN . 7.0 p -104.62 91.82 4.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.697 0.76 . . . . 0.0 109.551 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mt -133.09 132.37 41.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.209 -174.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.726 ' HB2' HE21 ' A' ' 10' ' ' GLN . 56.3 t80 -102.92 94.34 5.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.018 0.437 . . . . 0.0 111.531 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 p30 . . . . . 0 C--N 1.319 -0.74 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.522 171.074 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.49 133.38 31.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.19 2.593 . . . . 0.0 112.258 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -90.29 97.58 11.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.796 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.49 ' HB3' ' HB2' ' A' ' 74' ' ' CYS . 45.4 m-85 -111.15 159.05 18.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.552 177.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.521 ' O ' ' HA ' ' A' ' 74' ' ' CYS . 11.7 pt20 . . . . . 0 C--N 1.323 -0.569 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 56' ' ' THR . 33.9 t80 -64.79 140.34 58.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.33 . . . . 0.0 110.255 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -63.22 -41.49 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.371 -168.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.4 mt -127.02 110.67 23.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.7 mt -117.1 123.05 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.724 0.773 . . . . 0.0 112.447 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.644 ' HG2' ' HB3' ' A' ' 59' ' ' ARG . 42.0 mt-10 -91.25 139.44 30.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.884 177.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.469 HD11 HG23 ' A' ' 22' ' ' VAL . 16.1 pt -134.67 155.75 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.755 0.312 . . . . 0.0 111.42 -173.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.95 -10.67 68.96 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.27 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.469 HG23 HD11 ' A' ' 20' ' ' ILE . 19.1 m -95.32 151.73 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 122.728 -0.277 . . . . 0.0 110.364 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.676 ' HZ2' ' HA2' ' A' ' 44' ' ' GLY . 56.1 tttm -92.89 -58.55 2.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.849 0.357 . . . . 0.0 110.77 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -95.86 122.17 38.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -129.78 161.01 31.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 -171.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 ttt -146.99 135.12 21.56 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 65.4 m -74.32 126.31 30.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 N--CA 1.465 0.316 0 O-C-N 123.584 0.553 . . . . 0.0 111.449 -179.78 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 27' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 tp -87.84 151.3 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.015 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -73.39 120.74 19.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.894 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.4 mt -98.86 86.27 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.32 0.581 . . . . 0.0 110.526 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.52 131.83 38.39 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.424 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.662 ' HB2' ' O ' ' A' ' 46' ' ' THR . 23.7 ptt? -137.31 58.63 1.7 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.879 0.847 . . . . 0.0 110.058 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.676 ' HA2' ' HZ2' ' A' ' 23' ' ' LYS . . . -67.64 -25.39 73.98 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.888 175.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 p -78.42 -77.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.045 0.45 . . . . 0.0 111.111 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.662 ' O ' ' HB2' ' A' ' 43' ' ' MET . 23.6 m -98.57 131.99 44.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.822 178.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.408 ' OD1' ' HE2' ' A' ' 23' ' ' LYS . 10.5 m-20 -80.65 13.54 2.51 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.238 0.542 . . . . 0.0 111.506 -175.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -133.39 109.16 9.14 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -143.07 153.42 42.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 110.481 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.803 HD13 ' HA ' ' A' ' 55' ' ' SER . 14.2 tt -116.2 156.83 17.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.493 -176.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.559 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 34.4 t -93.33 105.68 16.83 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 172.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.03 -55.74 2.63 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.903 3.069 . . . . 0.0 113.418 -170.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -90.72 56.58 3.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 16.4 m -157.98 -51.68 0.07 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.74 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.803 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.3 t 65.45 89.43 0.1 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -168.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 11.6 m -169.01 56.38 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 -166.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.5 tp -51.01 106.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.543 -170.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.603 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 89.8 m-85 -81.23 116.94 21.35 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.1 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.644 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . 20.0 ttt180 -114.37 114.93 26.55 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.734 -174.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -107.15 108.16 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.097 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -129.41 138.99 34.36 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.781 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -52.32 -18.9 8.53 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.632 2.888 . . . . 0.0 114.683 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -74.64 -22.66 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.946 0.403 . . . . 0.0 110.735 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 74.6 mt -80.85 131.82 35.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.769 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -84.03 157.48 21.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -68.61 -29.86 68.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -85.1 6.25 26.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.668 175.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -118.17 163.15 17.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.657 HG22 ' SG ' ' A' ' 74' ' ' CYS . 11.0 t -161.01 -143.44 0.09 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.743 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -100.4 140.12 21.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.63 127.99 26.5 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.175 2.583 . . . . 0.0 112.745 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 p 51.5 81.14 0.08 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.182 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.94 -170.54 42.39 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.236 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.657 ' SG ' HG22 ' A' ' 69' ' ' THR . 14.5 p 50.91 -160.51 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.365 1.066 . . . . 0.0 111.658 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.6 OUTLIER 68.86 89.48 0.1 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.452 173.373 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -81.24 128.31 33.66 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.11 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 m120 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.18 178.561 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 pt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.396 0.141 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.3 125.2 17.68 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.079 2.52 . . . . 0.0 112.403 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -94.38 136.77 34.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.949 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -121.65 147.95 45.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.596 0.236 . . . . 0.0 110.976 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 4.1 pt20 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.518 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -85.14 153.12 22.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 10.2 tppt? -91.87 -37.89 12.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.931 0.395 . . . . 0.0 111.297 -175.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -129.75 110.7 20.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.722 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 15.9 mt -103.47 118.62 50.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.688 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -93.33 139.68 30.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.551 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.1 pt -138.45 155.08 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.656 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -90.93 -6.54 67.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.448 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -104.57 143.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 50.5 mtpt -96.79 -1.77 45.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 0.0 111.932 -173.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -128.1 110.89 12.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.211 176.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.564 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 87.5 t80 -154.18 136.9 15.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.221 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.472 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 26.7 ttt -101.6 137.11 40.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.665 0.269 . . . . 0.0 110.3 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 8.4 t -64.72 120.16 11.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.027 176.734 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.6 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 8.4 m-70 . . . . . 0 C--O 1.226 -0.158 0 CA-C-O 121.368 0.604 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.472 ' H ' ' HB3' ' A' ' 38' ' ' HIS . 25.4 mm -102.38 146.21 10.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.194 -175.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.472 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 29.6 p90 -89.39 145.94 25.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.168 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.564 ' HB ' ' O ' ' A' ' 25' ' ' PHE . 2.0 mp -114.55 111.92 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.295 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -115.89 115.69 26.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.267 173.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.625 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 66.2 mtt -85.38 67.07 10.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.277 0.561 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.26 -50.7 3.35 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.724 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -80.08 -57.7 3.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.936 0.398 . . . . 0.0 111.06 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.3 p -107.26 175.2 5.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.985 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -100.41 4.89 44.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 109.315 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -134.17 130.82 37.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.318 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HB2' HG21 ' A' ' 41' ' ' ILE . 56.7 mmtt -138.93 156.94 46.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.817 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 tt -132.55 150.34 33.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.225 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.461 ' SG ' ' O ' ' A' ' 53' ' ' TYR . 16.6 t -93.64 112.29 56.15 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -49.67 -45.11 33.0 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.731 2.287 . . . . 0.0 111.098 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.529 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 55.9 m-85 -91.52 78.04 5.66 Favored 'General case' 0 C--O 1.252 1.209 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.786 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 53' ' ' TYR . 5.3 m 159.84 -44.22 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.974 1.422 . . . . 0.0 112.059 172.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.8 p 51.13 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.87 0.843 . . . . 0.0 109.897 -165.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.51 ' OG1' ' HB3' ' A' ' 54' ' ' CYS . 3.4 m -158.55 46.12 0.31 Allowed 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 -169.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -41.78 112.84 0.36 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.365 -164.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.722 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 83.7 m-85 -83.85 105.95 15.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.35 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -115.99 129.12 56.23 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.001 -174.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -92.82 131.56 37.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.929 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 20.6 t70 -124.4 137.13 28.67 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 36.5 Cg_exo -61.16 -8.71 10.68 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 122.956 2.438 . . . . 0.0 113.934 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -88.59 -17.36 30.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.251 0.548 . . . . 0.0 109.768 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.2 mt -92.32 122.62 34.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.914 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.453 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 15.5 m -82.91 170.6 14.77 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 174.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -64.38 -23.96 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.081 0.467 . . . . 0.0 111.212 -175.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -87.59 -2.3 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.342 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -106.79 168.86 8.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.149 0.499 . . . . 0.0 111.283 -174.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -161.3 -150.05 0.19 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.836 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.895 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -100.69 174.6 2.85 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-O 119.236 -0.411 . . . . 0.0 110.126 -177.052 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.895 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 5.9 Cg_exo -37.52 150.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 124.751 3.634 . . . . 0.0 115.304 -177.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 m -59.43 141.51 54.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.657 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 137.14 -14.09 3.79 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 -176.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.406 ' HB2' ' H ' ' A' ' 75' ' ' LEU . 6.1 p -100.07 -147.8 0.35 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.681 -0.76 . . . . 0.0 110.405 177.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.406 ' H ' ' HB2' ' A' ' 74' ' ' CYS . 2.7 mm? 67.82 96.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.401 0.619 . . . . 0.0 110.79 -173.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.649 ' HD1' ' HB3' ' A' ' 10' ' ' GLN . 49.9 t80 -85.66 89.08 7.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.775 -174.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 171.318 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 26.8 pt . . . . . 0 C--O 1.234 0.285 0 CA-C-O 121.115 0.483 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 21.2 Cg_exo -65.59 128.61 20.48 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.099 2.532 . . . . 0.0 113.269 -175.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -92.51 159.79 15.35 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -123.6 146.66 48.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.417 0.627 . . . . 0.0 112.138 -173.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.493 ' HG2' ' H ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.638 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.642 0 N-CA-C 112.614 -0.194 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.423 ' HB2' HD13 ' A' ' 18' ' ' ILE . 91.1 m-85 -140.81 121.14 13.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -80.68 -25.82 37.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.437 -175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.416 HG12 ' HB3' ' A' ' 57' ' ' LEU . 72.8 mt -134.55 110.69 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.817 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 24.8 mt -116.43 129.92 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.523 0.678 . . . . 0.0 111.875 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.614 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 40.0 mt-10 -91.33 151.41 20.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.956 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 pt -145.05 153.64 14.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.37 . . . . 0.0 111.05 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.99 36.37 4.41 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.191 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.1 m -134.44 147.69 29.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.587 0.232 . . . . 0.0 110.464 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -95.2 -21.57 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 110.584 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -126.09 120.85 31.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.945 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.54 173.23 16.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.95 0.405 . . . . 0.0 110.494 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.588 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 22.7 ttt -140.66 144.34 35.63 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 38' ' ' HIS . 52.7 t -61.92 149.9 39.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 C--O 1.236 0.371 0 O-C-N 123.729 0.643 . . . . 0.0 112.541 -172.385 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 22.4 m170 . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.912 0.387 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.487 ' H ' ' HB3' ' A' ' 38' ' ' HIS . 16.8 tt -102.36 160.53 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.762 -169.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.588 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 49.5 t80 -84.3 140.9 31.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.918 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 51' ' ' CYS . 72.3 mt -127.64 127.42 68.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 0.0 111.058 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 3.3 p30 -99.93 152.84 19.7 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.6 tpp -111.93 20.86 16.56 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.462 0.649 . . . . 0.0 109.397 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.86 58.56 1.8 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.428 -176.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 t -163.89 -83.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 p -86.95 171.46 10.76 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -81.58 -31.06 32.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.938 0.399 . . . . 0.0 110.521 -175.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -125.08 136.07 53.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 42' ' ' ASP . 31.4 mmtp -125.65 139.29 53.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.055 178.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.9 tt -102.4 162.9 3.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.647 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 5.5 t -93.94 117.92 67.24 Favored Pre-proline 0 CA--C 1.511 -0.537 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.72 110.99 0.6 Allowed 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 121.952 1.768 . . . . 0.0 109.348 168.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.453 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 61.5 m-85 69.9 92.12 0.09 Allowed 'General case' 0 C--O 1.247 0.973 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.145 -175.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.571 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 2.6 m 159.35 -51.51 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.326 1.45 . . . . 0.0 110.623 173.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 m 63.94 94.27 0.05 Allowed 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.812 0.695 . . . . 0.0 109.33 -169.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 m -159.36 32.79 0.2 Allowed 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 -168.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.416 ' HB3' HG12 ' A' ' 17' ' ' ILE . 48.2 tp -25.67 107.31 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.702 -1.59 . . . . 0.0 112.787 -170.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.817 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 93.1 m-85 -86.81 130.74 34.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.713 -174.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.614 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 6.7 mtt85 -117.71 139.26 51.28 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.649 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -117.17 138.21 51.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.95 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.466 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 14.0 t70 -141.1 139.48 19.36 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -57.04 -26.94 71.38 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 123.043 2.496 . . . . 0.0 113.321 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.5 m -80.47 -11.02 59.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 97.3 mt -87.44 104.28 16.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 109.867 177.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -77.11 171.04 15.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.399 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -56.84 -32.74 66.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.959 0.409 . . . . 0.0 111.178 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -90.31 9.29 29.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.4 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -128.99 116.81 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.767 0.318 . . . . 0.0 110.165 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.47 HG21 ' OD1' ' A' ' 70' ' ' ASN . 4.5 t -106.02 -67.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.702 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.47 ' OD1' HG21 ' A' ' 69' ' ' THR . 30.4 p-10 -151.76 153.59 31.96 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-O 120.964 0.412 . . . . 0.0 110.312 -171.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.416 ' O ' HG23 ' A' ' 72' ' ' THR . 11.1 Cg_endo -90.47 107.22 0.34 Allowed 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.928 2.418 . . . . 0.0 111.778 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER 166.4 -67.39 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.606 1.162 . . . . 0.0 109.24 179.09 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.79 102.92 0.7 Allowed Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.765 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.5 m -135.03 -94.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.905 -0.174 . . . . 0.0 110.734 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' GLN . 9.4 mt 61.58 -166.65 0.21 Allowed 'General case' 0 C--O 1.204 -1.325 0 C-N-CA 122.756 0.422 . . . . 0.0 110.261 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -107.25 82.49 1.68 Allowed 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 166.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.493 ' H ' ' HG2' ' A' ' 10' ' ' GLN . 4.7 t-20 . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.306 -171.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.7 mm . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.75 123.93 6.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.518 2.812 . . . . 0.0 112.767 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -114.41 127.87 56.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.932 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 42.1 p90 -102.27 -175.34 2.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.709 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.634 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 12.0 pt20 . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 120.878 0.371 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.13 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -102.94 132.11 49.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.571 -0.37 . . . . 0.0 110.602 -176.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' ' H ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -160.1 -52.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.26 0.552 . . . . 0.0 110.462 174.712 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.486 HG23 ' HB3' ' A' ' 57' ' ' LEU . 70.7 mt -141.89 110.59 2.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.808 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 41.1 mt -123.23 127.82 74.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 119.614 -0.834 . . . . 0.0 112.163 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.651 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 35.2 mt-10 -91.52 154.32 19.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.757 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.489 HD13 ' HE1' ' A' ' 43' ' ' MET . 15.1 pt -146.73 163.44 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.179 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.23 16.8 38.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.412 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.34 167.26 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 122.759 -0.259 . . . . 0.0 110.727 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 58.1 mttp -106.48 4.15 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.233 0.54 . . . . 0.0 110.603 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -127.37 127.71 44.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.418 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CE2' ' HB ' ' A' ' 41' ' ' ILE . 43.9 p90 -156.95 166.27 33.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.258 0.551 . . . . 0.0 111.685 -175.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.2 ttt -143.72 146.02 32.86 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 38' ' ' HIS . 75.0 m -50.86 118.5 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.9 t . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 167.103 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 24.9 m170 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.79 0.328 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.05 149.89 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.85 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -82.54 130.26 35.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.574 ' HB ' ' CE2' ' A' ' 25' ' ' PHE . 58.6 mt -119.07 127.64 75.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.988 0.423 . . . . 0.0 111.345 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -94.82 144.12 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.217 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.489 ' HE1' HD13 ' A' ' 20' ' ' ILE . 41.9 mtt -81.55 88.68 6.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.968 0.413 . . . . 0.0 111.75 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.96 43.48 3.23 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 170.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.8 m -143.51 -175.31 4.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.416 -0.392 . . . . 0.0 109.962 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.6 p -77.23 -75.33 0.21 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -137.64 6.19 2.7 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.079 -175.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.97 140.16 23.11 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.62 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -158.23 132.95 8.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.311 174.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.465 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 14.2 tt -111.43 151.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.853 0.358 . . . . 0.0 110.961 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 53' ' ' TYR . 27.0 t -93.64 110.7 48.8 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.8 -45.71 38.76 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.83 2.353 . . . . 0.0 110.82 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.47 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 66.0 m-85 -79.42 71.54 5.99 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.146 172.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 53' ' ' TYR . 1.4 m 171.99 -63.28 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.536 0.734 . . . . 0.0 111.845 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.436 ' HA ' HD12 ' A' ' 50' ' ' ILE . 22.7 t 68.86 88.8 0.11 Allowed 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 -160.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.0 m -173.61 63.72 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 -165.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.486 ' HB3' HG23 ' A' ' 17' ' ' ILE . 2.5 tt -59.92 106.61 0.51 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.642 -173.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.808 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 67.2 m-85 -80.05 107.28 12.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 123.662 0.602 . . . . 0.0 110.266 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.651 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 79.7 mtt-85 -101.44 123.17 45.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.047 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' ILE . 17.8 t80 -104.12 101.97 11.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.394 174.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.403 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 13.4 t70 -94.6 137.99 22.4 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.008 -177.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.95 -23.18 50.16 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.857 2.371 . . . . 0.0 113.349 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -76.08 -27.44 57.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.202 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 96.1 mt -76.4 141.9 41.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.27 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -98.29 163.0 12.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.574 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -72.29 -2.92 20.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.07 -174.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -102.89 0.12 31.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.596 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.33 170.33 10.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.0 0.428 . . . . 0.0 110.33 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 20' ' ' ILE . 1.5 t -128.92 -70.65 0.66 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.896 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 9.4 p30 -144.16 171.55 6.63 Favored Pre-proline 0 C--N 1.307 -1.259 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -174.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.896 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 25.8 Cg_endo -61.43 175.76 1.44 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.152 2.568 . . . . 0.0 113.62 -174.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.6 m 76.19 -67.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.273 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.7 48.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.151 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.612 ' HB3' ' O ' ' A' ' 10' ' ' GLN . 56.5 m -79.65 85.29 5.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.795 0.331 . . . . 0.0 110.733 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -131.33 120.22 22.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.634 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 24.0 t80 -92.01 114.66 27.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.232 0.539 . . . . 0.0 111.344 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.037 174.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.3 pt . . . . . 0 C--O 1.239 0.502 0 CA-C-O 120.639 0.257 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.34 130.63 29.53 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.389 2.726 . . . . 0.0 113.099 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -122.48 143.4 49.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.941 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -120.77 -174.54 2.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.261 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 1.6 pp0? . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.7 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 68.71 86.73 0.13 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -79.48 6.21 10.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -168.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.4 mt -140.5 110.42 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 170.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.616 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 32.2 mt -107.84 131.12 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HB3' HD12 ' A' ' 64' ' ' LEU . 42.2 mt-10 -95.31 126.62 40.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.182 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.457 HG21 HG22 ' A' ' 18' ' ' ILE . 16.7 pt -143.68 166.73 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.051 0.453 . . . . 0.0 111.918 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.52 23.85 8.81 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.723 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.74 168.48 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -118.39 -50.75 2.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.68 125.75 47.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.112 0.482 . . . . 0.0 110.644 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -166.99 -172.41 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.892 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.4 ttt -130.88 127.54 38.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.901 0.381 . . . . 0.0 110.528 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.94 137.17 58.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.355 175.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.9 t . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.731 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.468 ' HE1' ' O ' ' A' ' 53' ' ' TYR . 1.6 t-80 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.0 mm -132.14 133.4 60.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 -171.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.27 120.23 18.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.779 0.323 . . . . 0.0 110.38 176.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm -115.36 134.85 57.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.745 0.307 . . . . 0.0 110.188 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.71 153.74 51.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.482 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.535 ' HE2' ' HB2' ' A' ' 49' ' ' LYS . 61.1 mtt -129.04 118.56 22.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.757 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.04 -60.41 0.48 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.8 175.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.9 p -121.73 8.74 10.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.0 110.988 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.595 HG21 ' HE3' ' A' ' 49' ' ' LYS . 23.6 p -97.9 132.2 43.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.46 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.11 -30.88 49.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.688 0.756 . . . . 0.0 109.393 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HB2' HD23 ' A' ' 57' ' ' LEU . 9.6 pt-20 -134.14 127.93 33.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.559 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.595 ' HE3' HG21 ' A' ' 46' ' ' THR . 15.2 mmtp -120.06 110.42 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.328 175.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.511 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.8 tt -92.04 156.5 3.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 54' ' ' CYS . 46.1 t -93.95 100.96 5.37 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 10.2 Cg_endo -52.94 -38.46 79.44 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.244 2.629 . . . . 0.0 111.57 -174.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.468 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 27.9 t80 -96.23 71.76 2.82 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.824 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.621 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 1.2 m 165.71 -60.25 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.82 0.848 . . . . 0.0 111.745 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 72.5 m 71.0 104.47 0.06 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.733 -160.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.459 ' OG1' ' HB3' ' A' ' 54' ' ' CYS . 1.1 m -165.6 33.0 0.05 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 -171.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 6.5 tt -36.24 101.79 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 113.581 -1.645 . . . . 0.0 112.257 -164.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.616 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 33.2 m-85 -86.78 105.02 16.7 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.075 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -104.64 129.07 52.83 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.723 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -91.2 94.68 9.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.38 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.531 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 14.5 t70 -93.96 136.82 23.37 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.041 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.45 -19.23 63.58 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.017 2.478 . . . . 0.0 113.254 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 t -84.64 -12.94 52.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 0.0 110.216 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.531 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 82.4 mt -88.5 173.56 8.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.5 m -150.95 -169.89 3.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.888 0.375 . . . . 0.0 111.173 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -82.95 -35.42 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.746 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -81.72 -33.57 31.04 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.079 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -111.86 122.69 48.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.606 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.1 t -117.74 -120.22 0.31 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.744 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.604 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 7.6 p30 -100.35 164.06 17.03 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.465 0.306 . . . . 0.0 110.325 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.604 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 20.2 Cg_endo -60.94 164.29 14.42 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.169 2.58 . . . . 0.0 112.406 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.6 m 72.03 -68.35 0.22 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.365 -175.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 134.57 59.11 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.636 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.488 ' HB3' HD22 ' A' ' 70' ' ' ASN . 52.4 t -76.14 85.32 2.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.245 0.545 . . . . 0.0 109.837 176.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 3.0 pp -152.36 147.53 26.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.466 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -86.2 94.08 9.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.086 0.469 . . . . 0.0 110.931 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.6 t30 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.458 176.471 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 pt . . . . . 0 C--O 1.236 0.347 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.491 ' HG2' HG23 ' A' ' 22' ' ' VAL . 74.9 Cg_exo -50.93 108.7 0.25 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.323 2.682 . . . . 0.0 113.147 -176.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -100.91 115.87 31.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.637 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.463 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 40.0 m-85 -102.26 177.14 4.96 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.966 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.435 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.165 -172.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.352 0 N-CA-C 112.928 -0.069 . . . . 0.0 112.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.498 ' HB3' HD11 ' A' ' 18' ' ' ILE . 2.8 t80 -86.0 121.71 29.01 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.757 ' HG3' ' HB3' ' A' ' 55' ' ' SER . 3.7 ttmp? -74.34 -33.45 63.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -166.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.7 mt -132.65 111.49 17.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.314 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 28.6 mm -109.11 124.01 65.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.624 ' HG3' ' HB3' ' A' ' 59' ' ' ARG . 10.7 mp0 -91.54 135.85 33.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 170.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.458 HG21 HG21 ' A' ' 18' ' ' ILE . 14.6 pt -144.43 163.85 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.709 0.29 . . . . 0.0 111.066 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.89 11.49 49.23 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.232 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.491 HG23 ' HG2' ' A' ' 7' ' ' PRO . 35.8 t -120.34 143.72 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 60.5 mttp -93.16 -24.24 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.664 0.268 . . . . 0.0 111.455 -176.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.69 116.26 31.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.082 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.463 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 63.5 t80 -140.02 145.6 37.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.016 0.436 . . . . 0.0 110.801 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.451 ' HG2' ' HB3' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -126.57 116.61 21.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 175.416 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.2 t -80.53 107.98 13.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.139 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.976 178.254 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.781 ' HE1' ' HB2' ' A' ' 54' ' ' CYS . 10.6 t-160 . . . . . 0 C--O 1.225 -0.186 0 CA-C-O 120.627 0.251 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 52' ' ' PRO . 33.0 mm -146.63 137.55 18.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -171.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.451 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 37.5 p90 -95.91 144.12 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.437 HG21 ' HD3' ' A' ' 49' ' ' LYS . 2.9 mp -120.92 117.69 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.1 0.476 . . . . 0.0 110.143 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -113.39 130.56 56.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.908 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.644 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 65.3 mtt -88.7 90.26 8.33 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.898 0.38 . . . . 0.0 110.552 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.6 -71.1 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.225 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 p -89.55 -5.46 57.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.874 0.369 . . . . 0.0 111.262 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -137.44 151.42 48.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.13 2.28 48.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.331 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 7.9 pt-20 -148.46 119.25 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.57 174.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HD3' HG21 ' A' ' 41' ' ' ILE . 71.0 tttt -133.3 138.57 46.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.919 -173.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.539 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 13.8 tt -92.91 156.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.534 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 54.0 t -93.66 108.04 31.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.491 ' HD2' HG23 ' A' ' 39' ' ' ILE . 50.1 Cg_exo -53.45 132.54 49.16 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.172 2.581 . . . . 0.0 112.397 -177.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 55.4 59.8 3.72 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.398 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.781 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 1.1 t -169.9 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.979 -173.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.757 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 47.9 m 64.59 97.48 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 O-C-N 123.88 0.737 . . . . 0.0 109.412 -172.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -166.72 35.34 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -170.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 4.5 tt -49.56 113.37 0.81 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.506 -166.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.655 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 69.2 m-85 -86.73 110.61 20.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.667 -174.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.624 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 42.5 ttm-85 -99.99 126.61 46.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.091 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.644 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 65.3 t80 -97.92 134.17 41.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.197 0.522 . . . . 0.0 111.224 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' OD2' ' HB2' ' A' ' 63' ' ' SER . 9.4 t0 -140.71 122.56 9.43 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.347 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.95 -15.33 32.42 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.035 2.49 . . . . 0.0 112.874 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.431 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 37.0 m -82.88 -7.48 59.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 111.034 178.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.34 129.07 37.37 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -80.63 160.77 24.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.809 0.338 . . . . 0.0 110.684 -178.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -66.51 -18.35 65.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.096 0.474 . . . . 0.0 110.64 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -90.64 5.89 46.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.683 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -129.83 143.01 50.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.182 0.515 . . . . 0.0 111.478 -174.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -116.93 -138.5 0.36 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.798 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 26.2 p-10 -100.45 -174.17 0.34 Allowed Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.798 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 75.5 Cg_exo -39.34 110.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.26 0 C-N-CA 122.253 1.969 . . . . 0.0 111.537 174.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 m -50.4 98.03 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.17 -165.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.2 14.43 0.85 Allowed Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 114.832 -1.077 . . . . 0.0 110.531 173.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.7 m -152.24 77.66 1.2 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.185 -0.507 . . . . 0.0 109.82 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.02 115.61 11.31 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.435 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 81.7 t80 -110.51 96.66 6.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.225 0.536 . . . . 0.0 111.221 -177.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.6 t30 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.368 172.704 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.2 mm . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.599 0.237 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -80.79 -178.29 4.31 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.786 2.324 . . . . 0.0 112.642 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 76' ' ' TYR . 37.7 m80 -116.0 138.14 51.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.268 0.556 . . . . 0.0 110.906 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -114.98 -173.9 2.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.785 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.368 -175.011 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -120.05 104.72 10.37 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -92.69 -3.27 55.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.434 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.5 mt -140.12 110.62 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.799 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 48.1 mm -107.05 124.39 62.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.217 0.532 . . . . 0.0 111.443 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.662 ' HG2' ' HB3' ' A' ' 59' ' ' ARG . 77.5 mt-10 -100.26 136.19 40.53 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.5 pt -150.05 157.89 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 123.036 0.21 . . . . 0.0 110.74 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.79 34.73 5.54 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.053 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.0 t -122.83 148.19 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 57.0 mttm -91.68 -39.21 11.97 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.74 0.305 . . . . 0.0 110.639 -178.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -111.74 127.85 55.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.429 ' HE1' ' SD ' ' A' ' 43' ' ' MET . 50.9 p90 -159.81 -177.56 6.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.98 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.54 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 26.2 ttt -133.11 134.91 44.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.872 0.367 . . . . 0.0 110.357 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.5 t -74.25 134.04 42.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.305 179.387 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.1 tt -148.2 155.42 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.54 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 37.4 p90 -77.47 134.33 38.37 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.245 0.341 . . . . 0.0 110.616 177.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 61.1 mt -127.97 140.38 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.533 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 5.2 p-10 -134.5 143.06 47.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.0 111.28 179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 1.022 ' HE1' ' HB3' ' A' ' 49' ' ' LYS . 2.0 mpt? -107.67 125.12 50.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.126 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.09 -77.48 1.05 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.517 170.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -127.82 79.41 1.89 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 173.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 m -137.48 125.59 22.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.365 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.08 -36.81 72.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.127 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HB2' HD22 ' A' ' 57' ' ' LEU . 12.4 pt-20 -156.67 127.84 6.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.943 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 1.022 ' HB3' ' HE1' ' A' ' 43' ' ' MET . 52.4 tttp -127.43 124.02 37.46 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -176.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 11.3 tt -88.66 154.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.015 0.436 . . . . 0.0 111.453 -173.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.55 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 53.3 t -96.36 103.23 13.29 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.04 -62.88 0.34 Allowed 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 123.739 2.959 . . . . 0.0 113.825 -171.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -80.69 35.36 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 88.9 m -155.51 -47.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 m 69.66 95.53 0.07 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -164.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.412 HG21 HG12 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -158.32 33.68 0.24 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 -171.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 2.6 tt -37.83 107.92 0.07 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 113.688 -1.596 . . . . 0.0 112.235 -163.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.799 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 94.6 m-85 -85.37 105.84 16.31 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.391 -176.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.662 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . 19.7 ttt180 -94.05 113.92 25.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.383 -177.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -103.7 92.72 4.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.875 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -106.51 138.42 19.73 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.109 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.13 -20.75 14.83 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 123.439 2.76 . . . . 0.0 113.877 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.5 m -73.7 -14.55 61.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.004 0.43 . . . . 0.0 110.604 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.36 -178.53 4.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.954 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 m -159.08 -178.1 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.589 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -61.93 -44.16 97.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.879 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -87.78 -1.16 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.348 0.595 . . . . 0.0 110.689 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -104.92 116.58 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 t -100.08 -131.44 0.24 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.864 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.525 ' C ' HD21 ' A' ' 70' ' ' ASN . 0.3 OUTLIER -100.66 163.81 17.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 122.314 -0.241 . . . . 0.0 110.926 -174.651 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 74.6 Cg_exo -49.13 126.12 14.74 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.142 2.561 . . . . 0.0 111.659 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.7 m 67.94 105.62 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 O-C-N 123.582 0.552 . . . . 0.0 109.759 -170.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.08 97.25 0.1 Allowed Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 113.166 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.63 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 41.4 m -92.0 -94.52 0.14 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER 47.13 -175.36 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.309 1.006 . . . . 0.0 112.221 -177.58 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.469 ' HB3' ' HB3' ' A' ' 8' ' ' HIS . 28.5 t80 -113.05 96.71 6.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.133 0.492 . . . . 0.0 110.302 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.371 179.504 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.9 pt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.47 126.11 19.79 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.489 2.126 . . . . 0.0 112.66 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.706 ' HD2' ' HB3' ' A' ' 76' ' ' TYR . 4.8 p-80 -90.68 127.3 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.356 174.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -106.86 172.62 6.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -170.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.469 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 3.8 pt20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.946 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 120.256 -0.191 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 68.78 -176.32 0.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.195 0.598 . . . . 0.0 110.65 -176.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 56' ' ' THR . 59.2 mttm -128.52 10.49 6.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.37 0.605 . . . . 0.0 110.378 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.7 mt -147.58 110.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.587 173.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.735 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 94.1 mt -107.95 129.46 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.899 175.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.98 137.02 32.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.747 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 13.9 pt -137.46 148.68 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.896 0.379 . . . . 0.0 111.2 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.44 23.23 33.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.206 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.8 m -136.23 146.65 28.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -95.82 6.97 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.998 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -131.74 118.38 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.085 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.624 ' HD1' HD12 ' A' ' 41' ' ' ILE . 52.8 t80 -141.06 157.62 45.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.362 -172.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 23.8 ttt -147.11 150.87 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 169.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.9 m -57.44 -49.54 75.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.587 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.5 t . . . . . 0 N--CA 1.472 0.625 0 C-N-CA 122.96 0.504 . . . . 0.0 110.22 -172.057 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 53' ' ' TYR . 12.8 t-80 . . . . . 0 C--O 1.224 -0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 112.083 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' MET . 22.6 mm -144.66 137.08 21.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.934 -169.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -81.68 130.71 35.15 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.624 HD12 ' HD1' ' A' ' 25' ' ' PHE . 25.0 mt -124.23 85.41 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.857 0.36 . . . . 0.0 111.003 -173.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -107.0 135.59 48.3 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -83.73 -56.7 3.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.435 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.99 -91.31 0.15 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.585 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.3 m -72.88 -34.83 66.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.716 0.293 . . . . 0.0 111.373 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -96.06 165.22 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.193 0.52 . . . . 0.0 111.83 -174.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.62 23.81 13.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.985 0.898 . . . . 0.0 109.217 175.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -163.95 155.0 15.91 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.23 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -165.25 146.67 7.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.384 . . . . 0.0 110.452 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.2 tt -108.31 142.35 21.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 36.8 t -94.12 119.37 66.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.171 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 11.8 Cg_endo -56.24 144.77 80.38 Favored 'Trans proline' 0 C--O 1.239 0.566 0 C-N-CA 122.607 2.204 . . . . 0.0 111.453 177.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.402 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 92.6 m-85 65.84 13.02 8.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.633 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.9 m -134.16 -55.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.154 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.0 m 55.47 87.24 0.05 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.576 0.703 . . . . 0.0 111.395 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 2.9 m -151.66 57.53 0.87 Allowed 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -30.16 112.17 0.08 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 113.676 -1.602 . . . . 0.0 112.79 -164.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.735 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 71.9 m-85 -85.76 107.34 17.57 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.508 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 59' ' ' ARG . 17.1 tpt85 -101.46 121.65 42.34 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.673 -174.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -92.62 97.31 10.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.092 0.472 . . . . 0.0 109.825 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.502 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 11.2 m-20 -90.9 131.66 36.74 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.629 176.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.24 -12.48 35.01 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.385 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -84.86 -9.96 57.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.382 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 61' ' ' ASP . 93.3 mt -89.53 170.42 10.51 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.67 -178.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 m -153.41 -160.81 1.16 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.78 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -67.22 -41.41 85.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.737 0.303 . . . . 0.0 110.855 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -92.61 -47.09 7.28 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.396 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -84.53 116.62 23.23 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.747 ' OG1' ' HA ' ' A' ' 20' ' ' ILE . 3.0 t -151.2 -59.93 0.17 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.329 0.585 . . . . 0.0 110.525 -175.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.711 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 8.2 p30 -152.52 165.92 16.49 Favored Pre-proline 0 C--N 1.312 -1.042 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.711 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 18.9 Cg_endo -60.31 134.29 54.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 123.024 2.483 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 28.0 m 80.5 142.28 0.07 Allowed 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.827 0.704 . . . . 0.0 110.8 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.95 109.83 1.65 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.467 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.565 ' HG ' HG23 ' A' ' 69' ' ' THR . 30.1 p -76.86 -10.27 59.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.628 0.251 . . . . 0.0 111.532 -176.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 75' ' ' LEU . 3.8 mm? -78.63 130.13 35.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.706 ' HB3' ' HD2' ' A' ' 8' ' ' HIS . 37.4 t80 -80.71 94.75 6.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.437 0.636 . . . . 0.0 109.998 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.212 -179.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 pt . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.93 136.98 73.34 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.348 2.032 . . . . 0.0 111.604 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -107.66 155.65 19.92 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -116.74 159.88 21.61 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 178.375 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -128.61 108.58 10.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 55' ' ' SER . 91.7 mttt -102.65 -5.59 23.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.463 -173.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.7 mt -143.42 110.35 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.697 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 70.6 mt -124.23 119.44 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.205 0.526 . . . . 0.0 111.57 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 33.8 mt-10 -92.9 132.43 37.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.883 176.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.433 HD13 HG21 ' A' ' 22' ' ' VAL . 24.8 pt -133.84 155.45 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.805 0.336 . . . . 0.0 111.413 -174.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.492 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -95.79 17.99 58.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.539 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 HG21 HD13 ' A' ' 20' ' ' ILE . 30.5 m -124.41 176.29 5.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.74 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 39.5 ttmt -115.8 -25.79 7.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.209 0.528 . . . . 0.0 110.537 -176.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.8 104.63 12.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.266 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -146.73 152.26 38.52 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.438 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 26.2 ttt -114.46 128.37 56.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.967 0.413 . . . . 0.0 110.574 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.41 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 8.5 t -69.82 125.15 25.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.623 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.32 -0.704 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.25 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.575 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 10.5 t-160 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 120.773 0.321 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.5 mm -144.02 134.37 20.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.01 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.438 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 37.3 p90 -76.54 138.28 40.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.437 HG13 ' CD2' ' A' ' 58' ' ' TYR . 47.4 mm -119.25 110.35 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.156 0.503 . . . . 0.0 110.833 -178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -105.73 130.72 53.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.501 174.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.74 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 61.5 mtt -95.85 95.24 8.13 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.33 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.66 62.72 3.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.873 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.0 m 63.62 91.57 0.07 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.214 0.606 . . . . 0.0 111.096 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.9 t -161.72 164.61 28.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.37 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.79 -43.74 21.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.25 0.547 . . . . 0.0 109.761 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -159.22 147.85 18.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.425 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -136.55 133.59 36.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.776 0.322 . . . . 0.0 110.405 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 5.8 tt -79.82 167.87 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.457 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.9 t -119.39 111.37 36.6 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.828 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -58.96 145.25 98.03 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.853 2.368 . . . . 0.0 112.836 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.554 ' O ' ' HB3' ' A' ' 54' ' ' CYS . 70.1 m-85 69.74 32.76 3.14 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.987 172.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.575 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 14.5 p 172.79 -27.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 170.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 48.0 m 69.49 139.67 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.552 0.691 . . . . 0.0 109.866 -168.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 m -167.18 -18.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER 27.55 88.61 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 113.472 -1.695 . . . . 0.0 113.589 169.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.697 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 79.4 m-85 -88.17 117.1 26.83 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.228 0.537 . . . . 0.0 110.341 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.492 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 36.3 mtp180 -106.82 140.95 38.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.814 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.452 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 69.7 t80 -119.28 98.75 6.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.399 0.619 . . . . 0.0 110.603 177.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -100.56 133.73 21.09 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.03 -18.5 13.51 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.055 2.503 . . . . 0.0 113.785 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.8 p -83.81 -9.44 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.218 -0.301 . . . . 0.0 111.374 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.5 mt -83.36 115.59 22.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.492 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 41.3 m -66.5 158.92 28.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -69.88 -3.57 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -115.26 4.97 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.174 0.511 . . . . 0.0 110.108 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -97.99 154.96 17.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.446 -174.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.482 HG23 HD23 ' A' ' 75' ' ' LEU . 14.6 t -148.39 -161.52 1.36 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.767 -176.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.498 ' HB3' HG21 ' A' ' 18' ' ' ILE . 26.4 t-20 -100.67 138.91 20.22 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 6.1 Cg_exo -77.37 -172.43 1.45 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 124.139 3.226 . . . . 0.0 114.5 -168.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.1 m 83.29 73.78 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.072 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 49.88 55.61 14.24 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.847 -0.615 . . . . 0.0 113.542 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.6 p -101.29 -175.64 2.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -175.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.482 HD23 HG23 ' A' ' 69' ' ' THR . 3.7 mm? 73.19 123.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.711 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -101.93 83.06 2.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.591 -171.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 48.7 mm . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.63 0.252 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 24.3 Cg_exo -63.45 135.89 52.01 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.897 2.398 . . . . 0.0 112.994 -177.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -125.24 153.02 43.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.543 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 42.8 m-85 -117.23 177.67 4.64 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.732 -172.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 120.685 0.279 . . . . 0.0 110.598 -179.021 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.691 0 CA-C-O 119.979 -0.345 . . . . 0.0 112.437 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 12.6 m-85 73.5 122.26 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.321 0.659 . . . . 0.0 111.27 -175.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' HA ' ' O ' ' A' ' 55' ' ' SER . 64.2 mttp -99.54 3.81 45.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.218 176.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -140.6 110.77 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.582 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.76 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 26.6 mm -108.42 121.52 61.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.722 0.772 . . . . 0.0 111.505 173.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.24 130.3 44.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.518 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.502 HG23 ' CZ ' ' A' ' 9' ' ' PHE . 1.5 pp -149.04 164.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.936 0.398 . . . . 0.0 111.708 -174.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.28 19.6 31.71 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.415 ' O ' HD13 ' A' ' 20' ' ' ILE . 39.3 t -109.56 125.03 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.692 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 34.9 mtmt -93.14 -22.56 19.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.008 0.433 . . . . 0.0 110.941 -175.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -130.15 104.62 7.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.603 -171.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -156.63 171.52 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.343 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.53 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -112.22 120.48 41.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.25 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.612 ' HB3' ' O ' ' A' ' 39' ' ' ILE . 2.6 t -73.98 137.47 43.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.119 0.485 . . . . 0.0 111.614 -176.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.689 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.476 ' HE1' ' O ' ' A' ' 52' ' ' PRO . 13.2 t-80 . . . . . 0 CA--C 1.529 0.139 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.612 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 51.1 mt -147.79 127.28 4.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.009 -173.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 54.5 p90 -77.6 142.13 39.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.996 0.427 . . . . 0.0 110.839 -176.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.5 mm -113.37 127.07 70.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -131.48 111.8 12.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.344 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.692 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mpt? -75.06 82.83 2.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.988 0.423 . . . . 0.0 110.511 176.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.09 72.12 1.14 Allowed Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.832 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.4 m 66.85 13.41 9.4 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.148 0.579 . . . . 0.0 111.466 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 t -104.49 156.23 18.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.183 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.63 -35.81 22.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.6 -174.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.471 ' HB2' HD22 ' A' ' 57' ' ' LEU . 10.6 pt-20 -139.21 145.14 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.889 0.376 . . . . 0.0 111.411 -177.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -144.12 136.12 26.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.027 174.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 55' ' ' SER . 14.8 tt -104.36 144.99 13.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 44.4 t -93.63 115.55 65.24 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 178.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.476 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 31.5 Cg_exo -58.95 147.41 89.81 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.775 2.317 . . . . 0.0 110.886 176.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 62.81 34.23 14.65 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.437 0.461 . . . . 0.0 110.438 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.1 m -155.1 -49.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.068 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.602 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 13.0 p 48.02 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.71 0.767 . . . . 0.0 110.12 -166.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m -158.77 41.69 0.24 Allowed 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 -169.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 48' ' ' GLU . 8.5 tt -40.22 114.22 0.43 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 113.822 -1.536 . . . . 0.0 112.163 -165.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.76 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 71.4 m-85 -91.12 113.71 26.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.637 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 ttp85 -109.63 126.36 53.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.905 0.383 . . . . 0.0 110.674 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -96.94 100.97 12.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.858 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.98 133.56 21.24 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.2 -11.16 7.38 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.542 2.828 . . . . 0.0 114.412 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.1 p -77.75 -16.96 58.05 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 110.304 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.4 -173.54 2.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.934 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 t -165.69 -167.98 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -69.42 -33.71 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.919 0.39 . . . . 0.0 110.649 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -94.96 -23.82 17.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.37 116.92 25.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.958 0.409 . . . . 0.0 110.505 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 t -115.56 -143.51 0.38 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.748 -175.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.6 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 4.2 p-10 -100.22 162.66 20.21 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 122.48 0.312 . . . . 0.0 111.537 -171.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.6 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 7.6 Cg_endo -50.19 149.77 11.69 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.669 2.913 . . . . 0.0 112.78 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.9 m 74.07 -49.25 0.67 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.218 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 108.38 105.65 3.01 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.304 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.1 m -130.25 89.83 2.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.086 0.47 . . . . 0.0 110.564 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.543 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 3.1 pp -138.39 151.29 47.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.871 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -84.29 102.51 12.73 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.256 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.701 178.26 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.9 pt . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.55 0.214 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.2 117.84 4.71 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.792 2.328 . . . . 0.0 112.321 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 65.3 m80 -90.83 133.66 35.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -110.75 156.73 20.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.756 0.313 . . . . 0.0 111.316 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.474 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 8.8 pt20 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.132 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -162.47 157.93 23.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -162.42 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.451 HG23 HD21 ' A' ' 57' ' ' LEU . 71.4 mt -137.43 110.47 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.077 169.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 62.9 mt -108.84 117.92 55.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.131 0.491 . . . . 0.0 111.5 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HB3' HD11 ' A' ' 64' ' ' LEU . 37.8 mt-10 -91.45 128.25 37.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.01 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 pt -125.84 147.21 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 111.135 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.13 31.77 8.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.648 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 t -120.59 149.31 23.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HD3' ' HB2' ' A' ' 43' ' ' MET . 3.2 tmtm? -83.98 -32.01 25.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.069 0.461 . . . . 0.0 110.389 -175.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -124.19 140.94 52.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.048 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -155.79 167.84 29.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 19.3 ttt -146.48 141.69 27.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.869 0.366 . . . . 0.0 110.473 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.76 135.41 48.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.076 -175.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.544 0.735 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.431 178.714 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 53' ' ' TYR . 2.8 t-80 . . . . . 0 N--CA 1.469 0.486 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.414 ' O ' ' HG3' ' A' ' 26' ' ' MET . 30.1 mm -144.19 130.86 16.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.035 -173.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -71.75 130.67 41.68 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.496 0.498 . . . . 0.0 109.67 174.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -121.79 88.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.366 0.603 . . . . 0.0 110.465 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.78 155.77 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.643 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.514 ' HB2' ' HD3' ' A' ' 23' ' ' LYS . 13.8 mmt -119.92 45.82 2.08 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.538 -176.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.74 -46.72 59.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.602 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.2 t -169.42 98.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.765 HG22 ' HG3' ' A' ' 49' ' ' LYS . 17.0 m -155.11 -40.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.867 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 77.39 -52.37 0.54 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.068 0.947 . . . . 0.0 110.368 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' HB2' HD22 ' A' ' 57' ' ' LEU . 4.2 pt-20 -132.04 113.41 13.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.762 176.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.765 ' HG3' HG22 ' A' ' 46' ' ' THR . 9.3 tttp -116.25 114.55 24.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -173.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.533 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.2 tt -84.73 141.58 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.7 t -95.36 121.8 61.03 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.328 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.11 153.98 42.36 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 122.842 2.362 . . . . 0.0 111.828 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.547 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.9 m-85 61.52 26.61 16.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.612 -178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 55' ' ' SER . 86.9 m -149.69 -69.14 0.2 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 49.4 m 70.44 117.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -160.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t 177.84 -14.71 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -165.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 5.4 tt 27.7 87.47 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 125.131 1.519 . . . . 0.0 113.024 172.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 78.4 m-85 -80.35 116.33 20.37 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -110.77 121.9 46.47 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.006 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -84.19 88.01 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -94.62 122.06 61.69 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.516 -173.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.68 -17.48 59.1 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.083 2.522 . . . . 0.0 113.564 -176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -81.43 -7.74 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.509 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 19' ' ' GLU . 98.1 mt -86.64 -165.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -152.67 168.92 24.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.11 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -63.69 -25.24 68.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.191 0.519 . . . . 0.0 110.285 175.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -98.0 -6.72 31.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.354 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -133.59 116.52 15.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.865 0.364 . . . . 0.0 110.939 -173.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 t -116.05 -122.28 0.29 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 7.2 t30 -100.44 134.15 20.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 10.9 Cg_exo -69.55 106.87 1.7 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.517 2.145 . . . . 0.0 111.38 -177.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.0 m 172.46 146.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -173.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.68 70.92 0.17 Allowed Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.027 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 53.7 m -82.7 -153.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.731 0.413 . . . . 0.0 111.054 -176.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 3.2 mm? 64.18 95.61 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.838 0.711 . . . . 0.0 111.623 -177.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.474 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 3.9 t80 -88.29 89.47 8.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.151 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 p30 . . . . . 0 C--N 1.319 -0.746 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.488 175.877 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 C--O 1.235 0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.4 120.46 8.13 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.985 2.457 . . . . 0.0 112.445 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.486 ' HD2' ' HB3' ' A' ' 76' ' ' TYR . 19.4 p-80 -130.9 124.17 30.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.373 177.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 38.3 m-85 -112.0 -179.46 3.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.009 -171.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' HG2' ' H ' ' A' ' 75' ' ' LEU . 10.1 pt20 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.302 -175.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.418 ' OH ' HG21 ' A' ' 72' ' ' THR . 35.4 m-85 -96.88 133.79 41.05 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -176.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -84.83 -20.13 31.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.423 -174.48 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.75 110.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 172.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.671 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.1 mt -112.18 117.24 54.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.723 0.773 . . . . 0.0 111.552 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -91.38 140.04 30.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.783 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 pt -145.08 160.9 13.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.699 0.285 . . . . 0.0 110.232 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -100.22 22.76 38.65 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.619 175.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 t -118.35 140.35 42.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -178.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.523 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 35.2 ttmt -94.62 -19.16 20.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.096 0.474 . . . . 0.0 110.834 -175.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -117.07 111.3 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.043 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -139.84 144.9 37.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.01 0.433 . . . . 0.0 111.07 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.511 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 18.2 ttt -120.03 127.32 52.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 38' ' ' HIS . 7.5 p -77.09 87.41 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.473 -175.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t . . . . . 0 C--O 1.233 0.201 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.745 177.567 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.598 ' HE1' ' HB2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.7 tt -97.3 151.45 4.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 112.064 -167.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.511 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 37.1 p90 -83.28 139.41 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.007 176.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.7 mt -123.1 114.36 41.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.31 0.576 . . . . 0.0 111.323 -176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -94.39 129.13 41.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.347 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 66.2 mtt -77.19 -40.05 46.61 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.813 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.05 -111.7 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.003 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.6 m -111.23 73.82 0.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.05 0.452 . . . . 0.0 110.68 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 p -142.66 165.04 28.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.528 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -95.93 -41.61 8.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.47 0.652 . . . . 0.0 109.752 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -149.27 137.52 20.75 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.604 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -140.6 133.89 29.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.83 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.498 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 13.4 tt -108.4 156.84 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.1 0.476 . . . . 0.0 110.909 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 43.8 t -94.37 110.2 47.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 172.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -48.29 -43.86 30.71 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.802 2.335 . . . . 0.0 111.661 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.598 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 64.7 m-85 -98.12 87.58 3.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.234 173.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.7 m 165.7 -52.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.188 0.995 . . . . 0.0 109.958 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.584 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 39.2 m 60.3 84.25 0.13 Allowed 'General case' 0 C--N 1.339 0.116 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 -168.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 m -167.11 60.41 0.08 Allowed 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 -168.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.498 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 1.3 tt -52.88 108.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.597 -170.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.671 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 35.0 m-85 -83.83 101.79 11.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.571 -177.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -93.64 125.31 38.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.05 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.55 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 57.3 t80 -81.28 91.72 6.26 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -94.22 122.9 60.45 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.345 -170.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.61 -14.62 22.1 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.975 2.45 . . . . 0.0 113.487 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -14.15 38.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.981 0.419 . . . . 0.0 110.391 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.9 mt -84.95 -164.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.656 172.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.437 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 12.7 p -140.0 164.49 29.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.612 0.244 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 21' ' ' GLY . 97.3 m-85 -64.13 -24.34 67.65 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.993 -174.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -102.58 18.16 21.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.082 0.467 . . . . 0.0 110.233 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -124.96 142.54 51.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.162 -173.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.412 ' HB ' ' CZ ' ' A' ' 9' ' ' PHE . 9.1 t -108.9 -141.81 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.461 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -100.34 155.67 36.13 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.62 107.0 1.55 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.314 2.009 . . . . 0.0 112.128 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.418 HG21 ' OH ' ' A' ' 15' ' ' TYR . 22.8 m 177.98 -53.31 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.418 1.087 . . . . 0.0 108.734 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.52 44.48 0.47 Allowed Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.179 -174.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.9 m -92.62 120.19 32.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.792 -0.204 . . . . 0.0 110.558 -176.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.48 ' H ' ' HG2' ' A' ' 10' ' ' GLN . 3.3 pp -166.96 134.07 2.43 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.486 ' HB3' ' HD2' ' A' ' 8' ' ' HIS . 46.1 t80 -102.35 93.03 4.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.6 178.334 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.5 pt . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.551 0.215 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.58 136.44 58.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.803 2.335 . . . . 0.0 112.098 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.59 121.66 32.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.667 0.746 . . . . 0.0 111.831 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 96.2 m-85 -102.38 -173.97 2.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.632 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 . . . . . 0 C--N 1.323 -0.552 0 CA-C-O 121.212 0.529 . . . . 0.0 111.009 -172.65 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.505 ' CD1' HD13 ' A' ' 18' ' ' ILE . 74.6 m-85 -143.48 164.71 29.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 56' ' ' THR . 21.2 tptm -136.85 -36.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 110.691 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.494 HG22 ' HB3' ' A' ' 57' ' ' LEU . 75.7 mt -135.66 115.88 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.892 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 32.6 mm -122.78 126.96 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -176.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.487 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 40.3 mt-10 -91.36 146.25 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.411 175.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.16 163.97 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.351 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.81 29.38 7.5 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.272 -178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.6 t -125.41 132.64 70.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -73.31 -27.51 61.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 111.565 -176.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.98 105.61 11.22 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -116.39 153.12 32.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.092 0.472 . . . . 0.0 110.965 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.547 ' SD ' ' HA ' ' A' ' 40' ' ' PHE . 11.1 tpt -147.17 145.09 29.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 9.2 m -70.95 150.74 45.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 175.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.078 174.741 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 27' ' ' CYS . 90.1 m-70 . . . . . 0 CA--C 1.513 -0.466 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.5 tp -101.31 152.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 O-C-N 123.427 0.454 . . . . 0.0 110.293 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.547 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 6.7 p90 -76.16 145.87 39.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.606 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.31 111.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 111.75 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.99 112.42 24.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.67 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.1 mmt -77.81 -65.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.007 0.432 . . . . 0.0 110.249 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.52 -107.89 1.71 Allowed Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.389 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 p -93.63 -9.19 38.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.83 0.347 . . . . 0.0 111.299 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.578 ' HB ' ' HE2' ' A' ' 49' ' ' LYS . 22.6 m -106.64 110.57 22.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 60' ' ' TYR . 49.7 m-20 -72.77 -41.46 65.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -169.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB2' HD22 ' A' ' 57' ' ' LEU . 16.8 pt-20 -111.14 125.7 54.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.087 0.47 . . . . 0.0 112.047 -173.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.578 ' HE2' ' HB ' ' A' ' 46' ' ' THR . 68.0 mttm -144.88 137.38 26.23 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.367 176.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.527 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 13.7 tt -94.88 161.59 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 41.6 t -99.88 113.66 65.25 Favored Pre-proline 0 N--CA 1.461 0.12 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.233 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -52.46 -32.13 51.37 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.833 2.356 . . . . 0.0 111.815 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.461 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 54.7 m-85 -111.93 80.1 1.29 Allowed 'General case' 0 C--O 1.247 0.962 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.348 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.558 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 2.3 m 158.15 -54.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 O-C-N 124.848 1.342 . . . . 0.0 110.13 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.533 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 54.1 p 86.43 -151.55 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 -148.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 10.4 m 85.27 71.77 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 167.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.527 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 1.4 tt -59.91 104.37 0.29 Allowed 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.953 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.892 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 65.2 m-85 -83.87 110.91 18.75 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 123.788 0.68 . . . . 0.0 109.59 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.487 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 31.2 mtm180 -104.0 114.95 29.57 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.447 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 83.0 t80 -86.16 93.45 9.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 172.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 11.7 t0 -82.89 125.02 76.27 Favored Pre-proline 0 C--N 1.317 -0.805 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -59.64 -12.91 19.29 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.929 2.419 . . . . 0.0 112.824 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m -82.83 -12.99 57.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.91 0.386 . . . . 0.0 110.485 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.526 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 94.2 mt -87.37 -171.11 3.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.547 ' HB3' HE21 ' A' ' 68' ' ' GLN . 47.9 t -158.61 174.23 15.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -175.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.69 -25.73 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.533 . . . . 0.0 110.671 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -93.82 2.67 56.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.524 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.547 HE21 ' HB3' ' A' ' 65' ' ' SER . 0.8 OUTLIER -123.49 142.67 50.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.145 0.497 . . . . 0.0 111.309 -176.582 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -132.52 -150.1 0.4 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.645 ' ND2' HG21 ' A' ' 18' ' ' ILE . 5.6 p30 -100.33 165.22 14.84 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -175.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 72' ' ' THR . 45.3 Cg_endo -90.99 106.69 0.29 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 122.827 2.352 . . . . 0.0 112.453 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.7 p -169.29 -63.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 109.527 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 133.3 51.61 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.685 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 75' ' ' LEU . 77.6 m -78.29 -151.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.487 -0.357 . . . . 0.0 111.723 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 2.7 mt 70.79 110.88 0.06 Allowed 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.988 0.805 . . . . 0.0 111.667 -175.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -85.75 108.69 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.102 0.477 . . . . 0.0 110.669 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 p30 . . . . . 0 C--N 1.318 -0.762 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.193 174.688 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptp . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.828 0.347 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.69 132.33 53.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 68.52 2.59 3.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.829 0.706 . . . . 0.0 112.609 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.9 t80 53.91 72.76 0.42 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.575 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -134.35 94.7 3.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.397 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.598 HD13 ' HB2' ' A' ' 26' ' ' MET . 13.5 pt -87.41 154.9 54.3 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.86 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.33 145.96 53.35 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.262 2.642 . . . . 0.0 113.675 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 26' ' ' MET . 97.8 m-70 -125.13 141.25 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.851 177.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.561 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 74.0 m-85 -115.71 154.91 28.71 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.515 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 9.6 pt20 -117.83 126.27 52.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.061 -173.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.44 112.58 23.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.671 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' CG ' HD21 ' A' ' 13' ' ' LEU . 27.7 p-10 -67.36 -55.88 12.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.538 HD23 ' HE1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -120.99 -26.34 5.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.402 167.351 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.42 94.54 2.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.405 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.538 ' HE1' HD23 ' A' ' 13' ' ' LEU . 11.5 m-30 -82.39 139.87 33.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -69.47 -30.31 68.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.906 -170.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -127.79 110.47 22.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.542 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 26.7 mm -105.61 130.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.35 0.595 . . . . 0.0 112.597 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -91.45 121.55 33.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.839 177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' HE1' ' A' ' 43' ' ' MET . 46.4 pt -127.67 148.3 32.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.825 0.345 . . . . 0.0 111.018 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.96 14.31 57.3 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.606 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.7 m -121.79 147.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.694 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 58.1 mttp -101.95 -0.12 34.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.911 0.386 . . . . 0.0 111.06 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -117.03 124.05 48.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.561 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 73.4 t80 -146.95 147.17 30.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.261 0.553 . . . . 0.0 111.624 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.598 ' HB2' HD13 ' A' ' 6' ' ' ILE . 13.4 tpt -131.22 116.6 17.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.433 173.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 37' ' ' PRO . 51.8 t -68.85 139.63 55.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.443 -175.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 29' ' ' GLY . 11.3 t -86.28 166.4 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.844 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.453 ' N ' HG11 ' A' ' 28' ' ' VAL . . . 167.06 -35.25 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.0 -86.62 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.462 0.705 . . . . 0.0 111.529 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.1 p -93.29 90.01 6.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.259 0.552 . . . . 0.0 110.445 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 29.6 mm-40 -128.0 157.16 74.77 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.52 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 32' ' ' GLN . 12.3 Cg_exo -72.72 -14.56 27.09 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.934 2.422 . . . . 0.0 111.374 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -84.21 154.9 22.78 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 29.8 t0 -78.47 142.92 37.12 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.72 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 92.1 m-70 76.04 174.39 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.566 0 O-C-N 123.894 0.747 . . . . 0.0 109.577 -173.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.72 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 78.6 Cg_exo -41.69 -42.26 6.14 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 123.1 2.533 . . . . 0.0 113.831 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -160.24 -78.43 0.06 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.288 171.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.492 HG21 ' HD2' ' A' ' 52' ' ' PRO . 9.2 tp -148.15 150.94 13.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.42 175.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.458 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 8.3 p90 -91.19 134.37 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.611 0.243 . . . . 0.0 110.372 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.89 134.2 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.037 0.446 . . . . 0.0 111.524 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -134.03 150.52 51.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.694 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 52.6 mtt -97.49 -70.84 0.71 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.079 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.73 -106.52 1.58 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.11 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.8 m -92.82 -11.6 33.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.182 0.515 . . . . 0.0 110.606 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.1 p -108.24 100.48 9.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.358 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.894 ' HB3' ' HB3' ' A' ' 60' ' ' TYR . 25.2 m-20 -81.79 -1.92 49.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.249 0.547 . . . . 0.0 110.438 -177.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.66 109.05 17.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.295 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -141.41 116.83 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.89 0.376 . . . . 0.0 111.423 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.623 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 14.2 tt -90.23 153.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.789 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 52.5 t -93.68 121.52 64.48 Favored Pre-proline 0 C--N 1.321 -0.644 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.537 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.492 ' HD2' HG21 ' A' ' 39' ' ' ILE . 54.7 Cg_exo -52.82 128.58 29.14 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 122.928 2.418 . . . . 0.0 111.659 176.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 61.09 56.19 2.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.977 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.0 m -157.87 -46.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.248 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.411 ' C ' ' HG1' ' A' ' 56' ' ' THR . 30.8 m 61.54 85.37 0.12 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.486 0.66 . . . . 0.0 109.353 -171.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 8.4 m -168.88 47.71 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -167.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.623 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 4.2 tt -53.17 107.01 0.19 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.943 -168.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.789 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 74.1 m-85 -79.75 104.37 10.29 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.514 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -107.34 128.4 54.42 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.4 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.894 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . 42.8 t80 -95.45 122.81 38.56 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 13.3 t70 -122.85 133.76 24.65 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.323 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 69.5 Cg_exo -53.32 -26.04 33.25 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 123.342 2.694 . . . . 0.0 113.996 -177.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.4 p -75.53 -17.28 60.13 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.237 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 61' ' ' ASP . 1.8 pp -118.46 144.79 45.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -122.81 -168.75 1.8 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.09 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -61.48 -22.4 65.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.103 0.478 . . . . 0.0 111.431 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -91.51 7.22 42.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.398 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -132.66 176.25 8.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.998 0.428 . . . . 0.0 111.177 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 t -161.92 -148.22 0.14 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.317 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.408 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 3.7 p-10 -100.78 167.97 10.0 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.557 0.218 . . . . 0.0 111.066 -173.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.44 ' O ' ' HB ' ' A' ' 72' ' ' THR . 47.5 Cg_exo -56.88 130.56 40.49 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.631 2.221 . . . . 0.0 111.547 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.44 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 51.1 m 76.53 137.74 0.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.858 0.724 . . . . 0.0 110.587 -173.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.41 82.72 0.46 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.988 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.1 m -89.63 13.78 13.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.942 0.401 . . . . 0.0 111.104 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.93 135.44 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.515 ' HD1' ' HB3' ' A' ' 10' ' ' GLN . 62.7 t80 -81.2 124.74 29.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -113.41 115.89 46.76 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.513 -174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -71.83 129.44 15.44 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.954 2.436 . . . . 0.0 110.32 171.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -102.76 -59.41 1.71 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.874 0.368 . . . . 0.0 110.951 -169.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 89.8 mt -119.81 -20.3 7.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 1.6 pm0 -76.32 86.84 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.632 0.73 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -139.16 131.12 27.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.486 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -112.86 134.87 54.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.028 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -86.86 40.8 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.907 0.384 . . . . 0.0 110.731 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 58.32 80.55 0.18 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.519 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -83.92 129.0 34.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.505 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.724 177.023 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.89 43.93 29.17 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.331 0.586 . . . . 0.0 109.918 -175.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -74.16 145.99 43.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.32 -0.855 . . . . 0.0 113.152 -169.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -108.22 5.57 25.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.264 -1.334 . . . . 0.0 108.47 170.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -85.88 71.04 10.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.27 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.9 pt -129.64 153.07 80.69 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.36 175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.42 99.65 0.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.374 2.049 . . . . 0.0 111.65 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.408 ' CD2' ' H ' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -90.35 119.11 30.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.304 0.573 . . . . 0.0 110.789 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.405 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 95.2 m-85 -102.4 173.08 6.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.996 -176.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -147.18 137.87 23.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.841 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -131.81 92.9 3.21 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.857 0.836 . . . . 0.0 110.855 172.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -89.23 -24.9 22.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.474 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.43 9.74 33.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.876 -175.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.41 -95.27 1.67 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.166 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.459 ' HB2' HD12 ' A' ' 18' ' ' ILE . 18.3 m-85 65.9 113.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.311 0.576 . . . . 0.0 111.158 -175.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.91 -50.53 62.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.257 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.0 mt -122.36 110.84 28.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.596 -0.441 . . . . 0.0 109.912 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.47 HG13 HG21 ' A' ' 56' ' ' THR . 17.9 mt -108.0 123.64 63.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.398 176.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' HG3' ' HB3' ' A' ' 59' ' ' ARG . 30.6 mp0 -91.29 138.21 31.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.992 0.425 . . . . 0.0 110.778 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.2 pt -137.7 157.14 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.49 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.08 28.17 17.26 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.105 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 t -127.5 142.85 42.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -87.35 -29.57 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.721 0.296 . . . . 0.0 111.69 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.448 ' HB3' ' HZ ' ' A' ' 40' ' ' PHE . 30.0 mt-10 -124.79 115.74 21.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.938 0.399 . . . . 0.0 110.803 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.405 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 45.2 t80 -145.03 141.12 28.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.387 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.702 ' HB2' ' HD1' ' A' ' 40' ' ' PHE . 19.6 ttt -125.41 132.27 52.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.445 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 78.2 m -61.16 123.82 18.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.167 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.4 t -67.58 141.09 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.154 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -156.57 -147.93 4.91 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.925 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.52 156.02 33.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.693 0.282 . . . . 0.0 110.504 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 m -82.9 76.99 9.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.135 0.493 . . . . 0.0 110.588 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -155.82 164.68 20.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.853 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.19 139.84 86.43 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.577 2.185 . . . . 0.0 111.821 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.632 ' HA ' ' HG2' ' A' ' 37' ' ' PRO . 94.0 m-85 -84.37 88.48 7.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.577 0.703 . . . . 0.0 111.055 -174.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.27 -52.97 2.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.072 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.729 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 21.2 t-80 -102.77 -33.44 0.21 Allowed Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.296 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.729 ' HD2' ' H ' ' A' ' 36' ' ' HIS . 13.3 Cg_endo -58.8 -144.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.445 0 C-N-CA 122.608 2.205 . . . . 0.0 114.225 174.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.542 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 10.9 m-70 -95.56 -172.44 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.239 -171.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.4 tt -128.87 169.79 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.453 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.702 ' HD1' ' HB2' ' A' ' 26' ' ' MET . 92.5 t80 -84.01 125.86 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.428 HG23 ' CD ' ' A' ' 49' ' ' LYS . 3.7 mp -98.81 107.35 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.469 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.28 139.83 46.35 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.442 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 47.3 mtm -111.37 39.23 2.36 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.187 0.517 . . . . 0.0 110.935 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.87 -23.35 57.85 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 p -83.92 -64.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.165 -0.518 . . . . 0.0 110.493 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.8 p -120.93 150.77 40.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.005 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.8 15.59 3.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.221 0.534 . . . . 0.0 111.49 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HB2' HD21 ' A' ' 57' ' ' LEU . 10.4 pt-20 -153.48 133.24 13.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.161 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' CD ' HG23 ' A' ' 41' ' ' ILE . 8.3 tttp -143.92 123.8 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.263 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.543 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 11.3 tt -84.31 157.52 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 175.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.89 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 48.5 t -104.72 112.0 65.27 Favored Pre-proline 0 C--N 1.33 -0.265 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.63 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 4.4 Cg_endo -47.65 -47.16 18.96 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.065 2.51 . . . . 0.0 111.75 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -101.74 79.51 1.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.26 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.685 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.3 m 164.49 -46.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 O-C-N 124.167 0.917 . . . . 0.0 110.954 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 19.3 m 77.14 -151.28 0.03 OUTLIER 'General case' 0 C--N 1.341 0.222 0 N-CA-C 104.894 -2.262 . . . . 0.0 104.894 -150.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.47 HG21 HG13 ' A' ' 18' ' ' ILE . 28.8 m 83.0 77.96 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 119.083 0.856 . . . . 0.0 109.127 165.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.543 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 9.3 tt -66.63 100.32 0.67 Allowed 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.655 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.89 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 73.2 m-85 -69.5 99.69 1.29 Allowed 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 1.5 tpt180 -93.81 114.16 26.35 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.933 -174.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.442 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 69.6 t80 -74.96 110.3 9.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 173.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' HB3' HD11 ' A' ' 64' ' ' LEU . 14.2 t70 -111.95 123.77 33.8 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.901 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.12 -2.84 12.87 Favored 'Trans proline' 0 CA--C 1.528 0.19 0 C-N-CA 122.604 2.203 . . . . 0.0 113.417 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.0 t -102.83 -9.94 19.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.463 HD11 ' HB3' ' A' ' 61' ' ' ASP . 75.0 mt -79.55 -166.19 0.93 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.157 0.503 . . . . 0.0 110.199 175.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -154.06 -176.47 5.87 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -81.85 -11.96 58.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.49 0.662 . . . . 0.0 109.609 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -99.99 -7.51 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.042 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -117.44 162.1 18.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.37 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.3 t -174.5 -141.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.275 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -100.43 145.78 30.88 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 123.316 0.646 . . . . 0.0 110.105 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' O ' ' HB ' ' A' ' 72' ' ' THR . 89.0 Cg_exo -45.21 168.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 124.459 3.439 . . . . 0.0 115.729 -176.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 84.2 m 76.94 -57.91 0.52 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.433 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.81 74.1 0.26 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.081 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.3 m -88.23 37.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.932 0.396 . . . . 0.0 110.802 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.89 129.91 36.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.881 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -81.39 97.72 7.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.484 . . . . 0.0 110.168 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.475 ' OD1' ' HB2' ' A' ' 79' ' ' LYS . 6.1 p30 -137.18 152.72 74.14 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.273 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 10.3 Cg_exo -72.47 62.71 3.63 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.981 2.454 . . . . 0.0 112.028 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.475 ' HB2' ' OD1' ' A' ' 77' ' ' ASN . 88.6 tttt -80.84 125.69 30.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.303 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 85.7 mt -77.73 91.36 4.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.815 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -115.74 -164.66 0.97 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.859 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -73.73 55.65 0.52 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.342 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.675 ' HB3' ' HA ' ' A' ' 87' ' ' HIS . 13.8 m-70 57.41 88.96 0.05 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.561 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -80.17 -65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.396 -172.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -113.24 16.71 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.507 0.67 . . . . 0.0 110.435 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -156.65 95.26 1.53 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.895 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.675 ' HA ' ' HB3' ' A' ' 83' ' ' HIS . 10.3 t60 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.111 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.914 0.387 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.05 167.55 21.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.65 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -118.28 -33.86 4.25 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.999 0.428 . . . . 0.0 110.693 -176.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -107.26 34.22 3.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.256 0.55 . . . . 0.0 110.243 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -91.71 132.24 36.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.068 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.3 pt -82.26 154.06 69.18 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.512 176.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.15 141.98 97.3 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.706 2.27 . . . . 0.0 111.803 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.747 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 27.6 m-70 -90.56 117.29 29.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -102.46 -173.99 2.46 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.064 -176.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.72 ' HG2' ' HB2' ' A' ' 76' ' ' TYR . 36.6 mt-30 -112.49 168.04 9.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.479 ' OD1' ' HG ' ' A' ' 13' ' ' LEU . 1.8 t-20 -80.73 160.02 25.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.626 0.727 . . . . 0.0 112.024 -167.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -88.83 12.48 15.0 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.063 -171.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.479 ' HG ' ' OD1' ' A' ' 11' ' ' ASN . 90.4 mt -76.9 -18.39 58.34 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.22 -13.1 22.09 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.188 -1.006 . . . . 0.0 113.939 -173.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.438 ' CE1' ' HA3' ' A' ' 73' ' ' GLY . 7.4 m-85 -121.24 148.26 44.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.214 0.507 . . . . 0.0 111.59 -175.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 55' ' ' SER . 98.0 mttt -108.91 -22.04 12.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.396 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.93 110.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.769 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.5 mt -106.74 125.09 62.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.865 0.84 . . . . 0.0 111.695 175.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -91.25 137.45 32.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.411 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 pt -135.17 153.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.969 0.414 . . . . 0.0 111.289 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.89 12.62 53.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.748 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.3 m -131.36 165.3 31.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -100.3 -14.88 18.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.658 0.266 . . . . 0.0 111.256 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -103.81 112.22 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -142.2 157.42 44.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.53 ' HG2' ' HB3' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -146.98 136.76 23.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -177.848 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 71.3 m -68.57 98.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.6 t -35.81 113.65 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.01 164.31 34.21 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.442 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.76 168.52 17.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.84 0.32 . . . . 0.0 110.886 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.66 118.8 7.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.694 -177.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' HB2' ' HD2' ' A' ' 33' ' ' PRO . 29.9 pt20 -171.04 174.33 1.6 Allowed Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 32' ' ' GLN . 51.9 Cg_exo -55.14 126.3 22.09 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 121.678 1.585 . . . . 0.0 110.523 170.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -104.58 0.76 28.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.949 0.404 . . . . 0.0 111.196 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -89.24 6.48 40.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.407 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.75 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . 51.7 t-80 -130.63 -56.64 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.748 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.75 ' HD3' ' HB3' ' A' ' 36' ' ' HIS . 26.2 Cg_exo -64.68 -69.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.107 1.872 . . . . 0.0 112.304 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.828 ' HE1' ' HB3' ' A' ' 54' ' ' CYS . 81.4 m-70 -149.77 127.08 11.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.016 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 tp -87.62 152.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 -177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.53 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 27.8 p90 -81.52 149.04 28.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.378 176.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.451 HD11 ' HB2' ' A' ' 51' ' ' CYS . 1.8 mp -106.71 111.5 35.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.416 0.627 . . . . 0.0 111.175 -175.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -107.61 108.1 19.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 170.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.4 ttm -80.86 93.96 6.38 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.932 0.396 . . . . 0.0 110.643 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.14 -100.1 0.93 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.064 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -96.73 31.06 2.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 111.371 -175.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m -133.64 147.83 51.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -74.49 -17.53 60.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.134 0.492 . . . . 0.0 110.245 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' HB2' HD22 ' A' ' 57' ' ' LEU . 9.5 pt-20 -137.08 158.19 45.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.207 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 14.3 mmtm -152.45 140.32 20.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.739 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 55' ' ' SER . 14.0 tt -128.42 151.35 35.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.199 0.523 . . . . 0.0 111.745 -175.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.465 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . 41.5 t -93.81 106.42 21.59 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 171.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.8 -16.95 47.41 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.171 2.58 . . . . 0.0 113.112 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -89.35 15.78 8.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.836 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.828 ' HB3' ' HE1' ' A' ' 38' ' ' HIS . 20.8 p -156.6 -39.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.792 ' HA ' HD12 ' A' ' 50' ' ' ILE . 69.7 m 69.28 97.73 0.06 Allowed 'General case' 0 C--N 1.337 0.055 0 O-C-N 123.787 0.679 . . . . 0.0 109.45 -169.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.479 ' HA ' ' C ' ' A' ' 16' ' ' LYS . 8.9 m -158.48 42.95 0.27 Allowed 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 -171.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 48' ' ' GLU . 7.7 tt -40.67 116.69 0.73 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.991 -166.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.769 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 87.2 m-85 -91.97 113.09 25.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.985 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -118.63 141.52 48.51 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.798 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -93.46 114.09 26.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.02 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -116.05 130.92 24.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.08 -6.09 13.75 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.042 2.495 . . . . 0.0 113.665 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -81.5 -11.56 59.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.174 0.511 . . . . 0.0 110.471 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.3 mt -92.76 -165.94 1.44 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.534 ' HB3' ' OE1' ' A' ' 68' ' ' GLN . 37.0 t -145.72 166.43 25.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.604 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -80.51 2.95 23.23 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -119.54 5.46 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.23 0.538 . . . . 0.0 109.988 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.534 ' OE1' ' HB3' ' A' ' 65' ' ' SER . 21.5 mp0 -124.31 179.35 4.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.491 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 t -156.93 -118.35 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.897 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -100.66 151.32 37.55 Favored Pre-proline 0 N--CA 1.45 -0.472 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.34 131.21 19.95 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.93 2.42 . . . . 0.0 113.245 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 m 75.35 -59.66 0.53 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.716 173.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.438 ' HA3' ' CE1' ' A' ' 15' ' ' TYR . . . -81.21 55.97 4.84 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.469 -173.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.3 p -150.19 163.85 37.19 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.65 -0.324 . . . . 0.0 110.99 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.747 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 13.2 mt 72.31 103.01 0.07 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 124.257 0.973 . . . . 0.0 112.823 173.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.72 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . 64.3 t80 -116.25 97.16 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.043 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 84.7 m-20 -121.07 123.41 27.84 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.667 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 11.7 Cg_exo -72.16 -4.95 16.16 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 123.138 2.558 . . . . 0.0 113.003 -176.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -107.76 103.35 12.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mp -122.09 158.14 29.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.315 -176.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.29 155.35 21.39 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -121.1 -24.83 5.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.779 0.323 . . . . 0.0 111.716 -172.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.668 ' HD2' ' HB2' ' A' ' 85' ' ' HIS . 36.7 t60 -121.48 -15.72 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.944 -174.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.1 p80 50.8 31.21 5.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.019 0.928 . . . . 0.0 111.911 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.668 ' HB2' ' HD2' ' A' ' 83' ' ' HIS . 29.6 t-80 -67.15 -36.51 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.76 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -74.75 111.67 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.183 173.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.5 t60 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.669 -0.682 . . . . 0.0 110.063 178.715 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.789 0.328 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.26 128.64 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.148 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -98.63 105.63 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -79.52 86.76 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.357 0.599 . . . . 0.0 110.704 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -111.54 102.07 10.44 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.489 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.5 pt -103.27 153.81 38.16 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.883 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.34 122.3 11.26 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.653 2.235 . . . . 0.0 112.202 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -95.7 142.1 28.4 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.476 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 15.6 m-85 -111.76 165.38 12.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.794 0.33 . . . . 0.0 111.568 -171.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.556 ' HG2' ' N ' ' A' ' 75' ' ' LEU . 4.0 pt20 -126.29 151.61 47.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.857 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 6.1 p-10 -94.91 94.44 8.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.515 0.674 . . . . 0.0 111.235 -178.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -88.8 -66.98 0.87 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.947 0.404 . . . . 0.0 110.923 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD23 ' HG2' ' A' ' 71' ' ' PRO . 3.0 pp -81.16 -9.93 59.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.455 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.61 -179.92 26.92 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 11' ' ' ASN . 54.3 p90 -143.62 -1.44 1.01 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -72.62 -29.31 63.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.353 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.77 110.5 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.614 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 62.3 mt -125.02 129.25 73.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.194 0.521 . . . . 0.0 111.277 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.528 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 41.4 mt-10 -91.36 150.12 21.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 37.7 pt -141.19 161.55 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.189 0.518 . . . . 0.0 111.364 -175.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -117.89 24.72 8.77 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.259 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.422 HG13 ' CD2' ' A' ' 66' ' ' TYR . 35.2 m -119.73 157.94 21.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.725 -0.237 . . . . 0.0 110.371 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.51 -26.77 11.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.084 0.469 . . . . 0.0 110.944 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.13 122.5 45.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.613 ' CE2' ' HB ' ' A' ' 41' ' ' ILE . 32.7 p90 -147.74 165.04 31.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.805 0.336 . . . . 0.0 111.084 -174.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.536 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 21.8 ttt -140.97 126.2 18.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.071 176.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.45 135.53 47.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.096 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 m -83.27 -178.72 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 121.413 0.625 . . . . 0.0 112.072 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.503 ' HA3' ' NE2' ' A' ' 32' ' ' GLN . . . 163.85 159.08 10.48 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.788 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 -65.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.261 0.531 . . . . 0.0 111.015 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.6 m -116.93 94.85 4.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.181 0.515 . . . . 0.0 110.988 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.503 ' NE2' ' HA3' ' A' ' 29' ' ' GLY . 46.7 mt-30 -139.73 139.49 22.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.006 175.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 32' ' ' GLN . 12.6 Cg_exo -70.5 64.57 2.24 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 123.115 2.543 . . . . 0.0 112.775 -177.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -140.32 6.59 2.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.003 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.74 -58.23 0.49 Allowed 'General case' 0 N--CA 1.478 0.951 0 O-C-N 123.88 0.738 . . . . 0.0 111.341 -174.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -86.59 153.98 55.98 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.924 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -26.47 -68.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 125.202 3.935 . . . . 0.0 114.535 -174.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HE1' ' O ' ' A' ' 52' ' ' PRO . 13.9 t-160 -143.46 -98.27 0.11 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.863 170.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.0 tt -148.3 155.44 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.506 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.536 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 36.5 p90 -103.85 137.38 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.35 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.613 ' HB ' ' CE2' ' A' ' 25' ' ' PHE . 40.5 mt -127.72 148.19 32.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.143 -178.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -113.51 159.9 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.698 0.285 . . . . 0.0 110.257 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.602 ' HG3' ' HE1' ' A' ' 25' ' ' PHE . 51.5 mtt -120.26 39.8 3.62 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.66 -13.23 80.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.472 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -112.82 -61.22 1.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -116.91 151.15 37.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.482 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -90.0 -7.92 52.84 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 50.6 mt-10 -128.81 120.44 26.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.577 177.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -142.37 128.7 19.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.523 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.5 tt -87.76 154.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.686 ' HB3' ' O ' ' A' ' 55' ' ' SER . 35.8 t -93.91 123.24 60.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.426 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 36.8 Cg_exo -60.09 153.02 61.21 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.433 2.089 . . . . 0.0 112.276 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 75.96 -16.55 0.59 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 173.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.8 p -153.58 16.96 0.53 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.686 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 68.4 m 62.57 -153.68 0.34 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 55' ' ' SER . 18.4 m 94.93 73.7 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 124.429 1.092 . . . . 0.0 108.793 -176.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 6.5 tt -73.42 99.87 3.08 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.732 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.614 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 91.8 m-85 -75.54 122.34 23.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.97 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.528 ' HD2' ' OE1' ' A' ' 19' ' ' GLU . 38.2 ttm180 -117.26 111.29 19.21 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.568 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 71.5 t80 -81.68 105.43 12.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.464 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 9.3 t70 -103.66 128.64 26.94 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 35.8 Cg_exo -61.58 -15.63 42.84 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.268 2.645 . . . . 0.0 113.879 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.9 p -89.25 -6.36 56.87 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.069 0.462 . . . . 0.0 110.493 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 69' ' ' THR . 94.4 mt -92.6 -169.67 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.034 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.459 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 45.3 m -152.19 -177.57 6.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.685 0.278 . . . . 0.0 110.776 -178.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.422 ' CD2' HG13 ' A' ' 22' ' ' VAL . 68.8 m-85 -83.74 -20.35 33.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.921 0.391 . . . . 0.0 110.587 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -87.39 -34.44 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.995 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.811 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -114.94 116.52 28.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.027 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.542 ' O ' HD12 ' A' ' 64' ' ' LEU . 6.6 t -92.8 -55.03 3.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.819 -173.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.876 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 3.1 p-10 -140.43 173.29 5.12 Favored Pre-proline 0 C--N 1.315 -0.922 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -177.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.876 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 11.9 Cg_endo -55.0 145.35 63.81 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.597 2.198 . . . . 0.0 112.383 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 86.7 m 80.7 -20.96 0.35 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.631 0.582 . . . . 0.0 110.844 -177.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.14 -70.71 0.2 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.49 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 92.4 m 55.9 83.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.509 0.671 . . . . 0.0 112.704 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.556 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 3.6 pp -138.48 143.08 39.43 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.338 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -118.23 96.95 5.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.271 0.558 . . . . 0.0 110.202 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -92.15 118.92 68.38 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.448 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.02 93.62 0.22 Allowed 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.611 2.207 . . . . 0.0 112.455 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -86.65 68.58 10.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.679 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.7 mt -119.34 -116.76 0.32 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.585 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.71 -33.76 19.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.2 t60 63.51 29.48 15.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.096 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -104.36 -51.64 3.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.816 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.412 ' C ' ' H ' ' A' ' 86' ' ' HIS . 27.6 t60 -135.31 134.15 39.59 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -172.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -76.34 21.45 0.18 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -174.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.412 ' H ' ' C ' ' A' ' 84' ' ' HIS . 21.9 p80 174.2 -172.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 175.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 . . . . . 0 C--N 1.317 -0.831 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 173.523 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.46 24.51 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.298 0.57 . . . . 0.0 110.195 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.0 103.06 3.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.14 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -112.88 128.91 56.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -80.9 119.11 23.03 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.7 pt -79.14 156.54 76.56 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.125 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -63.35 128.51 22.76 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.574 2.183 . . . . 0.0 111.551 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.947 ' HD1' ' HB3' ' A' ' 76' ' ' TYR . 5.0 p80 -96.34 128.62 43.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.347 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -115.51 166.22 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.283 0.564 . . . . 0.0 112.303 -171.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.888 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -165.89 146.32 6.61 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.482 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -129.14 118.6 22.7 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.4 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -82.1 -48.96 10.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.852 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 14' ' ' GLY . 2.8 pp -74.09 -23.98 59.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.418 ' N ' HD12 ' A' ' 13' ' ' LEU . . . -132.27 -84.48 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.329 -0.938 . . . . 0.0 112.572 -178.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.457 ' HA ' HD12 ' A' ' 18' ' ' ILE . 59.7 t80 77.99 -31.5 0.16 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.863 0.865 . . . . 0.0 111.515 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -66.41 -44.69 82.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.007 0.432 . . . . 0.0 110.628 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.509 HG22 ' HB3' ' A' ' 57' ' ' LEU . 75.4 mt -132.94 111.84 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.916 176.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.522 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 64.9 mt -118.49 123.63 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.22 0.533 . . . . 0.0 112.234 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.709 ' HG3' ' HB2' ' A' ' 59' ' ' ARG . 37.7 mp0 -90.87 131.29 36.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.488 HD11 ' HB ' ' A' ' 22' ' ' VAL . 36.3 pt -136.9 151.15 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -94.18 29.95 8.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.374 174.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.488 ' HB ' HD11 ' A' ' 20' ' ' ILE . 31.0 t -114.29 122.49 68.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.552 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 83.0 tttt -83.99 -13.99 51.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.842 0.353 . . . . 0.0 111.343 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -141.08 109.49 5.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.264 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -134.75 157.98 45.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.641 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.462 ' HE3' ' CD1' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -140.52 156.38 46.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.486 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.454 ' N ' ' SD ' ' A' ' 26' ' ' MET . 91.4 m -73.1 123.54 23.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.076 0.465 . . . . 0.0 112.108 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.02 141.95 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.923 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.06 -83.65 0.36 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.603 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.4 48.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.496 0.665 . . . . 0.0 109.704 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -75.09 97.91 3.55 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.368 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.814 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 97.0 mt-30 -132.44 176.2 3.1 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.814 ' HD2' ' HB3' ' A' ' 32' ' ' GLN . 45.0 Cg_exo -30.65 117.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 123.951 3.101 . . . . 0.0 113.363 177.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CD1' ' HE3' ' A' ' 26' ' ' MET . 7.0 m-85 -74.34 87.45 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.91 -169.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -159.61 -52.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.251 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.667 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 75.8 m-70 -115.75 -57.72 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 119.029 -0.51 . . . . 0.0 112.233 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.667 ' HD2' ' H ' ' A' ' 36' ' ' HIS . 1.2 Cg_endo -44.59 -55.63 3.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 C-N-CA 122.612 2.208 . . . . 0.0 112.876 -177.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.407 ' HE1' ' SG ' ' A' ' 54' ' ' CYS . 83.9 m-70 -150.84 -176.04 5.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.44 176.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 40' ' ' PHE . 11.2 tp -142.55 162.42 18.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.288 -174.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.414 ' N ' HG13 ' A' ' 39' ' ' ILE . 43.7 p90 -91.92 141.85 28.19 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.87 123.03 67.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.703 0.287 . . . . 0.0 110.278 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -121.43 141.94 50.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.899 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.623 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 2.0 mpt? -107.5 33.97 3.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.0 -83.51 0.11 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.085 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.6 m -84.47 -15.35 46.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.906 0.384 . . . . 0.0 110.789 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.532 ' O ' ' HA ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -111.23 114.38 27.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.356 -178.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -74.66 -26.35 59.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 8.1 pt-20 -141.29 127.39 19.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.219 0.533 . . . . 0.0 111.292 176.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -130.87 131.32 44.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.872 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.525 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 14.5 tt -88.81 159.66 2.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 173.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 40.6 t -99.05 114.41 65.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.045 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 7.5 Cg_endo -50.49 -35.04 44.36 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.095 2.53 . . . . 0.0 111.722 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -113.2 84.96 2.09 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.536 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.8 m 154.46 -37.78 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.433 1.093 . . . . 0.0 111.232 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.545 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 28.2 m 73.99 -149.18 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 106.085 -1.821 . . . . 0.0 106.085 -153.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 55' ' ' SER . 28.6 m 84.45 79.65 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 172.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 2.9 tt -70.72 99.96 1.79 Allowed 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.125 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.522 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 90.3 m-85 -76.66 103.64 6.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.014 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.709 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 82.5 mtt180 -93.89 119.53 32.94 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.352 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.623 ' HB2' ' HG2' ' A' ' 43' ' ' MET . 88.7 t80 -107.14 103.93 13.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.161 0.505 . . . . 0.0 109.811 174.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -108.77 140.79 22.18 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.77 -9.47 9.6 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.914 2.409 . . . . 0.0 113.771 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.4 m -85.15 -15.54 43.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.09 0.472 . . . . 0.0 110.166 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.7 mt -91.25 149.55 21.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.786 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.413 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 37.1 t -127.94 174.64 9.01 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -67.97 -12.64 61.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.026 0.441 . . . . 0.0 111.013 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -96.71 -2.95 43.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.273 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -128.15 160.68 31.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.561 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -170.63 -131.37 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.912 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.542 ' CG ' ' HD2' ' A' ' 71' ' ' PRO . 21.0 t-20 -100.43 153.13 37.92 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 70' ' ' ASN . 65.4 Cg_exo -27.97 136.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 124.786 3.657 . . . . 0.0 114.427 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.9 m -48.12 128.02 13.32 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.94 -172.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.94 35.52 0.89 Allowed Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -169.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.641 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 2.2 p -124.17 -11.1 7.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.797 -0.701 . . . . 0.0 112.15 -173.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.94 145.55 27.09 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.947 ' HB3' ' HD1' ' A' ' 8' ' ' HIS . 76.6 t80 -81.32 100.03 8.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 110.785 -177.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -104.74 152.29 39.47 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.1 -0.955 . . . . 0.0 108.857 171.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.67 85.93 0.17 Allowed 'Trans proline' 0 CA--C 1.529 0.231 0 C-N-CA 122.59 2.193 . . . . 0.0 114.008 -172.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -96.51 59.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.652 0.739 . . . . 0.0 109.316 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.549 HD22 ' O ' ' A' ' 80' ' ' LEU . 4.9 tt -80.06 -16.25 55.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.979 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 72.57 162.84 0.26 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.39 -177.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.6 m80 63.83 27.5 14.56 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 122.66 0.384 . . . . 0.0 111.558 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.48 129.34 40.68 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.751 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -69.81 -33.74 72.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.771 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -96.92 125.83 41.63 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -116.52 100.97 8.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.504 0.668 . . . . 0.0 110.848 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 . . . . . 0 C--O 1.246 0.878 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.396 -178.62 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 120.796 0.332 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.41 85.66 1.45 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.028 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -69.64 -31.7 69.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.642 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -109.47 138.32 46.01 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -85.06 -15.34 44.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 111.406 -172.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 pt -74.31 154.47 88.12 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.94 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -52.47 141.54 51.21 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.05 2.5 . . . . 0.0 112.321 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.486 ' HB3' ' HB3' ' A' ' 76' ' ' TYR . 34.7 m170 -92.95 112.17 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.301 0.572 . . . . 0.0 111.211 -176.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 76' ' ' TYR . 89.3 m-85 -104.31 -174.04 2.45 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.975 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -112.46 -169.5 1.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.953 0.406 . . . . 0.0 111.237 -170.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -71.34 126.29 29.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.836 -172.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.478 ' HB2' HG23 ' A' ' 56' ' ' THR . 21.1 p-10 -88.7 9.81 22.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.786 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -91.55 21.43 4.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.777 0.323 . . . . 0.0 111.312 177.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.09 -72.25 0.79 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.826 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.35 127.1 38.82 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.688 ' HA ' ' O ' ' A' ' 55' ' ' SER . 76.6 mttt -81.96 -5.92 58.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -172.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.423 HG22 ' HB3' ' A' ' 57' ' ' LEU . 65.4 mt -139.06 110.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 171.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.664 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 30.2 mt -124.92 131.82 72.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.204 0.526 . . . . 0.0 112.222 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -91.41 142.49 27.62 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.498 ' HA ' ' HA ' ' A' ' 69' ' ' THR . 23.9 pt -138.27 158.2 31.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.655 0.264 . . . . 0.0 110.745 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.603 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -96.93 -14.9 41.19 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.141 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.456 HG21 HD12 ' A' ' 20' ' ' ILE . 19.0 m -82.27 142.57 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 0.0 110.643 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HE3' ' HB2' ' A' ' 23' ' ' LYS . 23.2 ttmt -96.99 -6.42 35.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.487 0.661 . . . . 0.0 110.219 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.08 129.59 36.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.743 172.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -148.1 149.99 33.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.286 0.565 . . . . 0.0 111.033 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -146.75 140.34 25.79 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 66.1 m -55.47 119.64 5.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.2 t -54.99 -54.75 20.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -172.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.77 143.07 3.58 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.982 -1.104 . . . . 0.0 112.663 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.26 -73.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.0 m -123.97 -31.31 3.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.95 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.718 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 1.5 mp0 61.18 78.52 0.31 Allowed Pre-proline 0 N--CA 1.467 0.383 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.537 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.01 -2.58 10.23 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.571 2.181 . . . . 0.0 112.513 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -133.96 -167.45 1.95 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.793 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.67 112.62 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.438 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.751 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 30.1 m170 69.21 178.77 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.5 0 O-C-N 123.718 0.637 . . . . 0.0 110.66 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.751 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 87.4 Cg_exo -45.74 92.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 123.189 2.593 . . . . 0.0 113.855 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HE2' ' HB2' ' A' ' 53' ' ' TYR . 14.3 t-160 48.11 -96.92 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.95 -174.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.5 tp -148.41 153.86 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -90.89 138.69 31.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.79 0.329 . . . . 0.0 110.5 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -127.86 128.56 69.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.765 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.76 137.59 43.56 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.449 ' HE3' HD13 ' A' ' 20' ' ' ILE . 0.5 OUTLIER -76.7 -63.36 1.36 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.015 0.436 . . . . 0.0 110.636 178.585 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.37 -79.07 1.08 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.282 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.4 t -117.14 -41.05 3.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.704 0.287 . . . . 0.0 110.333 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 p -85.83 125.04 32.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.931 0.396 . . . . 0.0 110.752 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -80.7 -18.92 46.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.882 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 122.13 36.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.733 0.778 . . . . 0.0 111.909 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -134.05 -170.65 2.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.68 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 tt -137.92 155.69 30.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.846 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 49.7 t -93.83 105.85 18.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -62.27 133.83 45.53 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.634 2.222 . . . . 0.0 111.452 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.503 ' HB2' ' HE2' ' A' ' 38' ' ' HIS . 85.1 m-85 70.01 29.64 3.83 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.505 0.503 . . . . 0.0 110.542 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 13.9 m -147.83 -48.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.398 174.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.688 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 25.2 m 66.91 97.98 0.05 Allowed 'General case' 0 C--N 1.34 0.158 0 O-C-N 123.891 0.744 . . . . 0.0 109.74 -173.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.478 HG23 ' HB2' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -163.34 40.45 0.1 Allowed 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -169.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.423 ' HB3' HG22 ' A' ' 17' ' ' ILE . 5.3 tt -33.96 100.05 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.712 1.257 . . . . 0.0 111.66 -168.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.846 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 84.9 m-85 -82.7 106.27 14.42 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.759 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -112.54 114.66 27.42 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.986 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -76.25 109.03 9.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 14.6 t70 -91.02 132.68 33.68 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 37.0 Cg_exo -61.7 -12.29 24.42 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.864 2.376 . . . . 0.0 113.414 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 m -87.76 -9.52 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 110.721 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 90.6 mt -96.73 146.24 25.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.941 0.4 . . . . 0.0 110.877 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.603 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 15.1 m -94.94 167.59 11.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.486 175.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -64.72 -17.64 64.31 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -92.46 -3.48 55.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.237 0.541 . . . . 0.0 110.253 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -109.99 -179.27 3.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.439 0.638 . . . . 0.0 111.78 -174.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 20' ' ' ILE . 7.9 t -168.25 -142.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.779 -175.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.821 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -100.37 -178.93 0.74 Allowed Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 176.764 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.821 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 80.3 Cg_exo -22.84 107.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 124.038 3.158 . . . . 0.0 113.461 -176.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.7 t -62.69 92.93 0.05 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.442 1.115 . . . . 0.0 112.43 -166.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -166.59 21.25 0.11 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.727 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 37.9 t -114.59 24.04 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.697 . . . . 0.0 109.948 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.35 139.21 37.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.285 177.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.539 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 6.4 t80 -84.65 94.63 8.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.083 0.468 . . . . 0.0 109.867 -178.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 7.3 p30 -104.46 132.45 20.94 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.659 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 17.2 Cg_exo -67.2 97.12 0.41 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.795 2.33 . . . . 0.0 111.911 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -83.57 -24.04 31.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.524 0.678 . . . . 0.0 109.786 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.498 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 47.3 tp -75.66 156.39 34.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.088 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 3.9 mm-40 73.45 144.52 0.07 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.956 0.785 . . . . 0.0 112.097 177.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -93.36 -24.79 17.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 168.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -80.02 115.49 19.62 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.805 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -123.9 173.0 8.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.409 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -86.67 107.04 18.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.872 0.368 . . . . 0.0 110.127 -174.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -93.45 132.16 37.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.9 p80 . . . . . 0 C--O 1.245 0.843 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.045 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.3 98.91 8.37 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.29 -85.54 0.25 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.642 -176.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -157.22 148.59 22.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.846 0.355 . . . . 0.0 110.962 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -93.0 -35.08 13.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.462 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.4 pt -79.42 150.44 73.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.119 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -81.93 -175.48 2.57 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 123.34 2.694 . . . . 0.0 113.175 -176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -90.74 124.53 35.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.017 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.656 ' HZ ' HG21 ' A' ' 18' ' ' ILE . 3.7 t80 -102.18 -174.3 2.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.203 -172.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.726 HE21 ' HB2' ' A' ' 76' ' ' TYR . 17.4 mm-40 -112.84 177.2 4.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -81.15 151.82 28.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.451 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.51 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 1.3 m-20 -53.16 -39.19 63.39 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.607 -173.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.06 4.95 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.716 -168.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.24 -48.18 8.47 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.896 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.457 ' HB2' HD11 ' A' ' 18' ' ' ILE . 42.0 m-85 -143.41 136.73 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -177.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.578 ' HA ' ' O ' ' A' ' 55' ' ' SER . 57.7 mttp -82.17 -9.14 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.3 mt -137.94 110.87 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.656 HG21 ' HZ ' ' A' ' 9' ' ' PHE . 30.0 mm -112.04 130.68 65.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.533 0.682 . . . . 0.0 112.508 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -91.31 137.69 32.16 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 171.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.457 HG23 HG23 ' A' ' 18' ' ' ILE . 21.3 pt -140.1 159.6 26.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 111.832 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.2 21.7 9.99 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.207 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.523 HG13 ' CD2' ' A' ' 66' ' ' TYR . 34.1 m -112.82 148.34 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -96.54 -13.08 23.24 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -143.22 131.34 21.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.791 0.329 . . . . 0.0 111.185 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -166.01 136.05 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.41 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.493 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 24.2 ttt -104.09 126.51 51.25 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.624 ' SG ' ' HB3' ' A' ' 38' ' ' HIS . 34.7 t -54.22 120.98 7.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.494 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.73 137.05 22.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.626 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.57 79.33 0.33 Allowed Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.98 -52.06 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.876 0.369 . . . . 0.0 111.105 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 p -89.02 97.1 11.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.46 87.89 0.11 Allowed Pre-proline 0 N--CA 1.466 0.346 0 O-C-N 124.113 0.883 . . . . 0.0 110.001 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.97 138.23 43.55 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.746 2.297 . . . . 0.0 112.537 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -79.89 40.8 0.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.642 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 35.0 t70 68.45 113.4 0.04 OUTLIER 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.871 0.869 . . . . 0.0 109.802 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 43.2 m-70 70.17 175.44 0.07 OUTLIER Pre-proline 0 N--CA 1.47 0.57 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.458 -170.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 36.3 Cg_exo -62.01 153.84 66.09 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 N-CA-C 108.255 -1.479 . . . . 0.0 108.255 160.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.624 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 3.7 t-80 -75.91 -160.9 0.15 Allowed 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.64 -173.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.527 ' H ' ' CG ' ' A' ' 38' ' ' HIS . 31.3 mm -87.31 136.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 121.745 -0.597 . . . . 0.0 111.554 -164.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 36.9 p90 -72.52 134.14 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.238 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG22 ' HD3' ' A' ' 49' ' ' LYS . 82.3 mt -116.78 87.6 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.988 0.899 . . . . 0.0 110.349 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.72 134.11 34.01 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.642 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.9 mtp -99.08 21.52 11.63 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.542 0.687 . . . . 0.0 110.481 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.06 -2.92 68.32 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 172.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -102.97 -31.74 10.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.271 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.5 153.8 34.19 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.72 -21.97 37.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.322 0.582 . . . . 0.0 110.226 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -134.92 109.03 8.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.433 174.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.497 ' HD3' HG22 ' A' ' 41' ' ' ILE . 50.5 tttt -117.49 119.01 33.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.154 0.502 . . . . 0.0 110.451 -175.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.542 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 14.1 tt -84.97 153.74 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.841 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.431 ' HB2' HD12 ' A' ' 41' ' ' ILE . 49.4 t -93.53 105.7 17.39 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' A' ' 50' ' ' ILE . 27.1 Cg_exo -62.3 141.06 86.17 Favored 'Trans proline' 0 CA--C 1.519 -0.228 0 C-N-CA 122.864 2.376 . . . . 0.0 111.549 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 68.26 20.93 8.64 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.593 0.558 . . . . 0.0 110.921 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 55.9 m -142.12 -53.72 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.966 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 45.5 m 70.95 101.05 0.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.882 0.738 . . . . 0.0 109.871 -171.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.464 ' OG1' ' HB3' ' A' ' 12' ' ' ASP . 1.5 m -164.85 32.69 0.06 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -171.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 3.2 tt -36.04 102.97 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.123 -1.398 . . . . 0.0 112.101 -164.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.601 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 95.5 m-85 -84.67 113.71 21.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.299 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -114.22 139.84 49.06 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.916 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -89.95 137.54 32.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.319 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -135.05 132.11 20.13 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.969 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.34 -22.29 74.18 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.344 2.696 . . . . 0.0 113.71 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.0 t -79.59 -16.61 55.55 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.232 0.539 . . . . 0.0 110.252 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.4 mt -90.43 166.24 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.713 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.5 m -151.59 -179.3 7.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -175.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.523 ' CD2' HG13 ' A' ' 22' ' ' VAL . 55.5 m-85 -76.4 -19.37 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -80.54 -4.7 54.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 0.0 111.23 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -144.78 -169.03 3.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.743 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.453 HG23 ' OD1' ' A' ' 70' ' ' ASN . 4.6 t -153.08 -66.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.938 176.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' OD1' HG23 ' A' ' 69' ' ' THR . 3.8 p-10 -145.96 166.91 15.52 Favored Pre-proline 0 C--N 1.31 -1.124 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 -170.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.29 119.75 7.0 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.862 2.375 . . . . 0.0 110.752 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.1 m 68.4 82.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -167.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.94 130.1 50.33 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.063 -0.971 . . . . 0.0 113.727 -173.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.501 ' HB2' ' HB2' ' A' ' 10' ' ' GLN . 7.0 p -104.62 91.82 4.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.697 0.76 . . . . 0.0 109.551 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mt -133.09 132.37 41.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.209 -174.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.726 ' HB2' HE21 ' A' ' 10' ' ' GLN . 56.3 t80 -102.92 94.34 5.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.018 0.437 . . . . 0.0 111.531 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -110.79 125.43 30.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.522 171.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.08 115.24 2.5 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.063 2.509 . . . . 0.0 112.476 -177.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -90.15 129.16 36.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.563 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.43 HD11 ' NE2' ' A' ' 84' ' ' HIS . 41.9 tp -64.96 119.96 11.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.496 -178.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.75 -163.72 1.07 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.075 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -119.36 8.85 11.47 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -169.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 75.4 m-70 -106.91 -50.01 3.18 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.954 -0.466 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.43 ' NE2' HD11 ' A' ' 80' ' ' LEU . 44.6 m80 66.97 178.19 0.23 Allowed 'General case' 0 C--N 1.332 -0.165 0 O-C-N 123.949 0.781 . . . . 0.0 110.386 -173.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -96.24 149.95 21.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -68.27 -21.34 64.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.866 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.989 175.866 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.99 89.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.042 0.449 . . . . 0.0 110.635 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -83.71 122.48 28.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.949 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -89.81 122.32 32.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.361 0.6 . . . . 0.0 111.78 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -148.4 145.02 27.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.6 mt -71.87 120.69 81.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.49 133.38 31.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.19 2.593 . . . . 0.0 112.258 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -90.29 97.58 11.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.796 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.49 ' HB3' ' HB2' ' A' ' 74' ' ' CYS . 45.4 m-85 -111.15 159.05 18.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.552 177.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.521 ' O ' ' HA ' ' A' ' 74' ' ' CYS . 11.7 pt20 -113.21 168.04 10.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -97.83 115.21 27.61 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.53 ' OD2' ' HG ' ' A' ' 13' ' ' LEU . 4.6 p-10 -54.62 -68.57 0.17 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.448 0.468 . . . . 0.0 111.536 -170.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.53 ' HG ' ' OD2' ' A' ' 12' ' ' ASP . 2.6 pp -121.36 -12.12 8.66 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 166.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.47 57.3 0.67 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.819 -172.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' A' ' 56' ' ' THR . 33.9 t80 -64.79 140.34 58.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.33 . . . . 0.0 110.255 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -63.22 -41.49 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.371 -168.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.4 mt -127.02 110.67 23.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.7 mt -117.1 123.05 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.724 0.773 . . . . 0.0 112.447 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.644 ' HG2' ' HB3' ' A' ' 59' ' ' ARG . 42.0 mt-10 -91.25 139.44 30.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.884 177.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.469 HD11 HG23 ' A' ' 22' ' ' VAL . 16.1 pt -134.67 155.75 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.755 0.312 . . . . 0.0 111.42 -173.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.95 -10.67 68.96 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.27 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 HG23 HD11 ' A' ' 20' ' ' ILE . 19.1 m -95.32 151.73 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 122.728 -0.277 . . . . 0.0 110.364 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.676 ' HZ2' ' HA2' ' A' ' 44' ' ' GLY . 56.1 tttm -92.89 -58.55 2.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.849 0.357 . . . . 0.0 110.77 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -95.86 122.17 38.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -129.78 161.01 31.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 -171.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 ttt -146.99 135.12 21.56 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 65.4 m -74.32 126.31 30.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.1 t -50.46 -48.33 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.584 0.553 . . . . 0.0 111.449 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.06 -146.77 11.34 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.366 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.63 177.61 3.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -72.08 -36.48 69.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.443 0.64 . . . . 0.0 109.455 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -130.15 84.04 61.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.302 173.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 96.1 Cg_endo -97.84 -162.5 0.06 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 123.705 2.937 . . . . 0.0 113.109 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -109.7 122.3 47.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.983 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 70.55 -74.02 0.09 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.804 0.69 . . . . 0.0 110.293 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.771 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 71.3 m80 -147.25 -55.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.278 177.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.771 ' HD3' ' HB2' ' A' ' 36' ' ' HIS . 73.5 Cg_endo -100.8 -144.97 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.028 2.486 . . . . 0.0 111.15 174.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -109.49 -169.19 1.43 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.032 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 tp -87.84 151.3 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.015 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -73.39 120.74 19.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.894 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.4 mt -98.86 86.27 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.32 0.581 . . . . 0.0 110.526 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.52 131.83 38.39 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.424 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.662 ' HB2' ' O ' ' A' ' 46' ' ' THR . 23.7 ptt? -137.31 58.63 1.7 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.879 0.847 . . . . 0.0 110.058 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.676 ' HA2' ' HZ2' ' A' ' 23' ' ' LYS . . . -67.64 -25.39 73.98 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.888 175.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 p -78.42 -77.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.045 0.45 . . . . 0.0 111.111 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.662 ' O ' ' HB2' ' A' ' 43' ' ' MET . 23.6 m -98.57 131.99 44.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.822 178.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' OD1' ' HE2' ' A' ' 23' ' ' LYS . 10.5 m-20 -80.65 13.54 2.51 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.238 0.542 . . . . 0.0 111.506 -175.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -133.39 109.16 9.14 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -143.07 153.42 42.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 110.481 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.803 HD13 ' HA ' ' A' ' 55' ' ' SER . 14.2 tt -116.2 156.83 17.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.493 -176.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.559 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 34.4 t -93.33 105.68 16.83 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 172.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.03 -55.74 2.63 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.903 3.069 . . . . 0.0 113.418 -170.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -90.72 56.58 3.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 16.4 m -157.98 -51.68 0.07 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.74 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.803 ' HA ' HD13 ' A' ' 50' ' ' ILE . 14.3 t 65.45 89.43 0.1 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -168.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 11.6 m -169.01 56.38 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 -166.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.5 tp -51.01 106.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.543 -170.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.603 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 89.8 m-85 -81.23 116.94 21.35 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.1 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.644 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . 20.0 ttt180 -114.37 114.93 26.55 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.734 -174.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -107.15 108.16 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.097 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -129.41 138.99 34.36 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.781 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -52.32 -18.9 8.53 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.632 2.888 . . . . 0.0 114.683 -176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -74.64 -22.66 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.946 0.403 . . . . 0.0 110.735 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 74.6 mt -80.85 131.82 35.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.769 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -84.03 157.48 21.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -68.61 -29.86 68.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -85.1 6.25 26.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.668 175.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -118.17 163.15 17.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.657 HG22 ' SG ' ' A' ' 74' ' ' CYS . 11.0 t -161.01 -143.44 0.09 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.743 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -100.4 140.12 21.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -175.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.63 127.99 26.5 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.175 2.583 . . . . 0.0 112.745 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 p 51.5 81.14 0.08 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.182 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 12' ' ' ASP . . . 178.94 -170.54 42.39 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.236 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.657 ' SG ' HG22 ' A' ' 69' ' ' THR . 14.5 p 50.91 -160.51 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.365 1.066 . . . . 0.0 111.658 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.6 OUTLIER 68.86 89.48 0.1 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.452 173.373 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -81.24 128.31 33.66 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.11 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 14.5 m120 -95.36 111.59 55.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.18 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 7.0 Cg_exo -73.19 123.75 9.01 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.743 2.295 . . . . 0.0 111.347 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.444 ' H ' ' HD2' ' A' ' 79' ' ' LYS . 1.7 mptp? -87.44 -178.76 6.23 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -176.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -77.71 59.92 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 172.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 139.69 57.45 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.243 0.544 . . . . 0.0 110.631 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -142.84 97.82 3.17 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.647 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -76.57 -53.19 8.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -139.97 -68.59 0.42 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.768 171.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -88.45 -72.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 169.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -123.11 -59.1 1.6 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 166.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 . . . . . 0 C--O 1.242 0.699 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.853 171.19 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.029 0.442 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.28 76.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.341 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -166.34 112.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -109.73 12.48 24.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.975 0.417 . . . . 0.0 111.066 -173.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -98.18 120.49 38.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.815 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.9 pt -71.09 142.82 87.89 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.875 -176.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.3 125.2 17.68 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.079 2.52 . . . . 0.0 112.403 -179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -94.38 136.77 34.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.949 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -121.65 147.95 45.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.596 0.236 . . . . 0.0 110.976 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 4.1 pt20 -113.2 172.78 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.464 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -129.55 128.22 42.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.196 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.65 -49.1 11.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.333 0.587 . . . . 0.0 109.572 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.0 pt? -120.68 -27.69 5.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.685 177.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.6 104.67 2.57 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -175.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -85.14 153.12 22.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 10.2 tppt? -91.87 -37.89 12.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.931 0.395 . . . . 0.0 111.297 -175.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 76.1 mt -129.75 110.7 20.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.722 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 15.9 mt -103.47 118.62 50.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.688 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -93.33 139.68 30.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.551 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.1 pt -138.45 155.08 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.656 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -90.93 -6.54 67.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.448 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -104.57 143.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 50.5 mtpt -96.79 -1.77 45.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 0.0 111.932 -173.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -128.1 110.89 12.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.211 176.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.564 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 87.5 t80 -154.18 136.9 15.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.221 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.472 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 26.7 ttt -101.6 137.11 40.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.665 0.269 . . . . 0.0 110.3 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 8.4 t -64.72 120.16 11.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -92.15 -82.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.027 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.22 126.23 3.01 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.064 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.493 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . . . -140.65 -67.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.4 m -105.65 83.64 1.96 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.94 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 67.63 158.53 0.14 Allowed Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.302 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.18 145.15 24.13 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.772 2.315 . . . . 0.0 111.421 173.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -101.57 30.91 4.02 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.6 t70 71.16 -56.6 0.62 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.72 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.653 ' HB2' ' HD2' ' A' ' 37' ' ' PRO . 13.0 p80 -112.72 172.48 3.5 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 174.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.653 ' HD2' ' HB2' ' A' ' 36' ' ' HIS . 1.1 Cg_endo -45.11 147.4 2.18 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.825 2.35 . . . . 0.0 112.236 175.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.6 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 8.4 m-70 -78.85 -145.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.16 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 ' H ' ' HB3' ' A' ' 38' ' ' HIS . 25.4 mm -102.38 146.21 10.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.194 -175.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.472 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 29.6 p90 -89.39 145.94 25.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.168 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.564 ' HB ' ' O ' ' A' ' 25' ' ' PHE . 2.0 mp -114.55 111.92 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.295 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -115.89 115.69 26.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.267 173.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.625 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 66.2 mtt -85.38 67.07 10.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.277 0.561 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.26 -50.7 3.35 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.724 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -80.08 -57.7 3.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.936 0.398 . . . . 0.0 111.06 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.3 p -107.26 175.2 5.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.985 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -100.41 4.89 44.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 109.315 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -134.17 130.82 37.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.318 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HB2' HG21 ' A' ' 41' ' ' ILE . 56.7 mmtt -138.93 156.94 46.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.817 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 tt -132.55 150.34 33.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.225 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.6 t -93.64 112.29 56.15 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -49.67 -45.11 33.0 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.731 2.287 . . . . 0.0 111.098 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -91.52 78.04 5.66 Favored 'General case' 0 C--O 1.252 1.209 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.786 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.51 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 5.3 m 159.84 -44.22 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.974 1.422 . . . . 0.0 112.059 172.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.8 p 51.13 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.87 0.843 . . . . 0.0 109.897 -165.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.51 ' OG1' ' HB3' ' A' ' 54' ' ' CYS . 3.4 m -158.55 46.12 0.31 Allowed 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 -169.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -41.78 112.84 0.36 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.365 -164.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.722 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 83.7 m-85 -83.85 105.95 15.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.35 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -115.99 129.12 56.23 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.001 -174.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -92.82 131.56 37.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.929 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 20.6 t70 -124.4 137.13 28.67 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 36.5 Cg_exo -61.16 -8.71 10.68 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 122.956 2.438 . . . . 0.0 113.934 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -88.59 -17.36 30.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.251 0.548 . . . . 0.0 109.768 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.2 mt -92.32 122.62 34.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.914 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.453 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 15.5 m -82.91 170.6 14.77 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 174.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -64.38 -23.96 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.081 0.467 . . . . 0.0 111.212 -175.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -87.59 -2.3 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.342 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -106.79 168.86 8.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.149 0.499 . . . . 0.0 111.283 -174.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -161.3 -150.05 0.19 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.836 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.895 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -100.69 174.6 2.85 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-O 119.236 -0.411 . . . . 0.0 110.126 -177.052 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.895 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 5.9 Cg_exo -37.52 150.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 124.751 3.634 . . . . 0.0 115.304 -177.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 m -59.43 141.51 54.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.657 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 137.14 -14.09 3.79 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 -176.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.406 ' HB2' ' H ' ' A' ' 75' ' ' LEU . 6.1 p -100.07 -147.8 0.35 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.681 -0.76 . . . . 0.0 110.405 177.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.406 ' H ' ' HB2' ' A' ' 74' ' ' CYS . 2.7 mm? 67.82 96.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.401 0.619 . . . . 0.0 110.79 -173.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.649 ' HD1' ' HB3' ' A' ' 10' ' ' GLN . 49.9 t80 -85.66 89.08 7.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.775 -174.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.75 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 35.9 m-80 -81.75 148.58 61.88 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 171.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -29.93 -60.29 0.13 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 124.506 3.471 . . . . 0.0 113.756 -174.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -140.62 59.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.215 0.531 . . . . 0.0 110.411 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.75 ' HB2' ' HB2' ' A' ' 77' ' ' ASN . 57.4 tp -84.3 95.57 8.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.341 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.45 169.99 17.22 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.553 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -89.26 140.58 29.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.849 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.61 128.89 36.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.073 0.463 . . . . 0.0 111.168 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -111.46 -74.72 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.129 -178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -93.53 155.94 17.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.747 -175.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -117.78 138.91 51.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.343 173.283 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.97 0.414 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.04 134.11 53.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.737 0.303 . . . . 0.0 110.888 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -112.43 124.67 53.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.939 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -101.76 102.6 13.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.228 0.537 . . . . 0.0 110.704 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -117.34 -148.95 0.43 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.607 178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 26.8 pt -71.43 146.4 91.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.115 0.483 . . . . 0.0 110.842 -177.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 21.2 Cg_exo -65.59 128.61 20.48 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.099 2.532 . . . . 0.0 113.269 -175.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -92.51 159.79 15.35 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -123.6 146.66 48.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.417 0.627 . . . . 0.0 112.138 -173.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.493 ' HG2' ' H ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -123.58 147.17 47.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.638 -179.095 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -131.88 123.67 27.96 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.155 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -84.59 -67.44 0.8 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.28 0.562 . . . . 0.0 110.067 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.8 HD21 ' H ' ' A' ' 13' ' ' LEU . 1.9 pt? -87.92 -5.61 58.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.607 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.0 147.29 21.92 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.614 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.423 ' HB2' HD13 ' A' ' 18' ' ' ILE . 91.1 m-85 -140.81 121.14 13.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -80.68 -25.82 37.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.437 -175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.416 HG12 ' HB3' ' A' ' 57' ' ' LEU . 72.8 mt -134.55 110.69 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.817 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 24.8 mt -116.43 129.92 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.523 0.678 . . . . 0.0 111.875 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.614 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 40.0 mt-10 -91.33 151.41 20.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.956 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 pt -145.05 153.64 14.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.37 . . . . 0.0 111.05 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.99 36.37 4.41 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.191 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.1 m -134.44 147.69 29.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.587 0.232 . . . . 0.0 110.464 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -95.2 -21.57 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 110.584 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -126.09 120.85 31.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.945 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.54 173.23 16.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.95 0.405 . . . . 0.0 110.494 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.588 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 22.7 ttt -140.66 144.34 35.63 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 38' ' ' HIS . 52.7 t -61.92 149.9 39.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -47.06 126.51 2.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 O-C-N 123.729 0.643 . . . . 0.0 112.541 -172.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.34 -179.29 29.83 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.767 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.03 166.22 10.92 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -74.27 78.14 1.83 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.398 0.618 . . . . 0.0 110.344 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.431 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 28.2 mt-30 -142.77 163.81 36.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.034 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 32' ' ' GLN . 88.2 Cg_exo -46.08 137.86 13.13 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.05 2.5 . . . . 0.0 113.281 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.04 117.82 4.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.183 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -170.4 -72.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.611 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 59.1 m170 -91.9 -48.7 0.32 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.85 170.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.611 ' HD3' ' HB2' ' A' ' 36' ' ' HIS . 15.7 Cg_exo -69.96 152.31 68.24 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.831 1.687 . . . . 0.0 110.564 169.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.55 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 22.4 m170 -102.16 -156.64 0.57 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.194 -178.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.487 ' H ' ' HB3' ' A' ' 38' ' ' HIS . 16.8 tt -102.36 160.53 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.762 -169.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.588 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 49.5 t80 -84.3 140.9 31.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.918 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.498 HD13 ' HA ' ' A' ' 51' ' ' CYS . 72.3 mt -127.64 127.42 68.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 0.0 111.058 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 3.3 p30 -99.93 152.84 19.7 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.6 tpp -111.93 20.86 16.56 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.462 0.649 . . . . 0.0 109.397 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.86 58.56 1.8 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.428 -176.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 t -163.89 -83.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 p -86.95 171.46 10.76 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -81.58 -31.06 32.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.938 0.399 . . . . 0.0 110.521 -175.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -125.08 136.07 53.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 42' ' ' ASP . 31.4 mmtp -125.65 139.29 53.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.055 178.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.9 tt -102.4 162.9 3.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.647 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 5.5 t -93.94 117.92 67.24 Favored Pre-proline 0 CA--C 1.511 -0.537 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.72 110.99 0.6 Allowed 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 121.952 1.768 . . . . 0.0 109.348 168.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 69.9 92.12 0.09 Allowed 'General case' 0 C--O 1.247 0.973 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.145 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.571 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 2.6 m 159.35 -51.51 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.326 1.45 . . . . 0.0 110.623 173.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 m 63.94 94.27 0.05 Allowed 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.812 0.695 . . . . 0.0 109.33 -169.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 m -159.36 32.79 0.2 Allowed 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 -168.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.416 ' HB3' HG12 ' A' ' 17' ' ' ILE . 48.2 tp -25.67 107.31 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.702 -1.59 . . . . 0.0 112.787 -170.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.817 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 93.1 m-85 -86.81 130.74 34.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.713 -174.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.614 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 6.7 mtt85 -117.71 139.26 51.28 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.649 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -117.17 138.21 51.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.95 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.466 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 14.0 t70 -141.1 139.48 19.36 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -57.04 -26.94 71.38 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 123.043 2.496 . . . . 0.0 113.321 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.5 m -80.47 -11.02 59.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 97.3 mt -87.44 104.28 16.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 109.867 177.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -77.11 171.04 15.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.399 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -56.84 -32.74 66.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.959 0.409 . . . . 0.0 111.178 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -90.31 9.29 29.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.4 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -128.99 116.81 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.767 0.318 . . . . 0.0 110.165 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.47 HG21 ' OD1' ' A' ' 70' ' ' ASN . 4.5 t -106.02 -67.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.702 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.47 ' OD1' HG21 ' A' ' 69' ' ' THR . 30.4 p-10 -151.76 153.59 31.96 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-O 120.964 0.412 . . . . 0.0 110.312 -171.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.416 ' O ' HG23 ' A' ' 72' ' ' THR . 11.1 Cg_endo -90.47 107.22 0.34 Allowed 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.928 2.418 . . . . 0.0 111.778 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER 166.4 -67.39 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.606 1.162 . . . . 0.0 109.24 179.09 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.79 102.92 0.7 Allowed Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.765 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.5 m -135.03 -94.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.905 -0.174 . . . . 0.0 110.734 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' GLN . 9.4 mt 61.58 -166.65 0.21 Allowed 'General case' 0 C--O 1.204 -1.325 0 C-N-CA 122.756 0.422 . . . . 0.0 110.261 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -107.25 82.49 1.68 Allowed 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 166.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.493 ' H ' ' HG2' ' A' ' 10' ' ' GLN . 4.7 t-20 -98.12 140.62 22.01 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.306 -171.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 23.9 Cg_exo -63.84 87.46 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.974 2.449 . . . . 0.0 113.318 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -98.7 -2.96 36.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.642 170.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.0 mt -131.09 113.23 13.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.179 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -68.31 100.89 1.11 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -67.96 114.81 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -71.29 171.09 11.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.19 -174.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -77.45 94.57 4.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.935 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -79.24 63.21 3.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 60.05 66.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.156 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.1 t60 . . . . . 0 C--O 1.247 0.937 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.174 179.535 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.6 mtm . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.08 65.78 1.15 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.85 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -127.57 140.57 52.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.297 -172.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -138.02 148.82 45.49 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 169.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -136.66 -177.89 4.94 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.842 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.7 mm -71.47 132.93 85.31 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.048 -177.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.75 123.93 6.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.518 2.812 . . . . 0.0 112.767 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -114.41 127.87 56.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.932 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 42.1 p90 -102.27 -175.34 2.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.709 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.634 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 12.0 pt20 -128.76 114.9 17.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.878 0.371 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -121.77 92.91 3.84 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.972 0.415 . . . . 0.0 110.076 176.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -88.93 1.64 55.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.394 0.616 . . . . 0.0 110.212 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.3 mm? -91.63 21.95 4.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.515 -170.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.82 141.03 3.37 Favored Glycine 0 N--CA 1.454 -0.13 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.888 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -102.94 132.11 49.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.571 -0.37 . . . . 0.0 110.602 -176.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG2' ' H ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -160.1 -52.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.26 0.552 . . . . 0.0 110.462 174.712 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.486 HG23 ' HB3' ' A' ' 57' ' ' LEU . 70.7 mt -141.89 110.59 2.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.808 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 41.1 mt -123.23 127.82 74.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 119.614 -0.834 . . . . 0.0 112.163 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.651 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 35.2 mt-10 -91.52 154.32 19.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.757 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.489 HD13 ' HE1' ' A' ' 43' ' ' MET . 15.1 pt -146.73 163.44 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.179 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.23 16.8 38.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.412 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.34 167.26 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 122.759 -0.259 . . . . 0.0 110.727 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 58.1 mttp -106.48 4.15 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.233 0.54 . . . . 0.0 110.603 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -127.37 127.71 44.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.418 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.574 ' CE2' ' HB ' ' A' ' 41' ' ' ILE . 43.9 p90 -156.95 166.27 33.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.258 0.551 . . . . 0.0 111.685 -175.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.2 ttt -143.72 146.02 32.86 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 38' ' ' HIS . 75.0 m -50.86 118.5 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.9 t -85.36 81.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 167.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.44 123.73 0.69 Allowed Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.505 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.78 22.42 7.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.948 0.404 . . . . 0.0 111.207 -175.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 p -69.6 89.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 62.16 86.79 0.14 Allowed Pre-proline 0 C--O 1.234 0.282 0 CA-C-O 121.467 0.651 . . . . 0.0 110.392 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -86.9 171.25 6.99 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.274 2.649 . . . . 0.0 112.927 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.536 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 88.7 m-85 -128.12 86.17 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' HB3' ' O ' ' A' ' 34' ' ' PHE . 15.7 t70 71.2 -65.03 0.36 Allowed 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.771 0.67 . . . . 0.0 110.078 -171.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.502 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 14.7 m80 -109.43 177.43 1.25 Allowed Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 71.9 Cg_exo -51.25 91.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.404 2.069 . . . . 0.0 112.914 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.536 ' HA ' ' HD2' ' A' ' 34' ' ' PHE . 24.9 m170 54.96 -113.14 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.003 -174.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.05 149.89 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.85 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -82.54 130.26 35.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.574 ' HB ' ' CE2' ' A' ' 25' ' ' PHE . 58.6 mt -119.07 127.64 75.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.988 0.423 . . . . 0.0 111.345 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -94.82 144.12 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.217 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.489 ' HE1' HD13 ' A' ' 20' ' ' ILE . 41.9 mtt -81.55 88.68 6.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.968 0.413 . . . . 0.0 111.75 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.96 43.48 3.23 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 170.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.8 m -143.51 -175.31 4.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.416 -0.392 . . . . 0.0 109.962 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.6 p -77.23 -75.33 0.21 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -137.64 6.19 2.7 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.079 -175.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -148.97 140.16 23.11 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.62 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -158.23 132.95 8.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.311 174.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.465 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 14.2 tt -111.43 151.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.853 0.358 . . . . 0.0 110.961 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.0 t -93.64 110.7 48.8 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.8 -45.71 38.76 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.83 2.353 . . . . 0.0 110.82 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -79.42 71.54 5.99 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.146 172.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m 171.99 -63.28 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.536 0.734 . . . . 0.0 111.845 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.436 ' HA ' HD12 ' A' ' 50' ' ' ILE . 22.7 t 68.86 88.8 0.11 Allowed 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 -160.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.0 m -173.61 63.72 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 -165.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.486 ' HB3' HG23 ' A' ' 17' ' ' ILE . 2.5 tt -59.92 106.61 0.51 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.642 -173.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.808 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 67.2 m-85 -80.05 107.28 12.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 123.662 0.602 . . . . 0.0 110.266 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.651 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 79.7 mtt-85 -101.44 123.17 45.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.047 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 20' ' ' ILE . 17.8 t80 -104.12 101.97 11.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.394 174.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.403 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 13.4 t70 -94.6 137.99 22.4 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.008 -177.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.95 -23.18 50.16 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.857 2.371 . . . . 0.0 113.349 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -76.08 -27.44 57.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.202 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 96.1 mt -76.4 141.9 41.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.27 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -98.29 163.0 12.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.574 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -72.29 -2.92 20.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.07 -174.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -102.89 0.12 31.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.596 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.33 170.33 10.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.0 0.428 . . . . 0.0 110.33 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 20' ' ' ILE . 1.5 t -128.92 -70.65 0.66 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.896 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 9.4 p30 -144.16 171.55 6.63 Favored Pre-proline 0 C--N 1.307 -1.259 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -174.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.896 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 25.8 Cg_endo -61.43 175.76 1.44 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.152 2.568 . . . . 0.0 113.62 -174.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.6 m 76.19 -67.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.273 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.7 48.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.151 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.612 ' HB3' ' O ' ' A' ' 10' ' ' GLN . 56.5 m -79.65 85.29 5.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.795 0.331 . . . . 0.0 110.733 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -131.33 120.22 22.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.634 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 24.0 t80 -92.01 114.66 27.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.232 0.539 . . . . 0.0 111.344 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -116.1 103.56 53.14 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.037 174.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -58.29 -41.87 62.06 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.984 2.456 . . . . 0.0 112.598 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -146.97 146.81 30.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 80' ' ' LEU . 2.5 pt? -90.87 -10.55 42.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -166.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.02 70.84 10.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.546 0.689 . . . . 0.0 112.421 -172.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -57.96 -45.14 87.14 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -95.15 108.73 20.86 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 166.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -72.33 116.75 13.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.187 -172.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -61.41 114.27 3.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -111.79 169.55 8.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.624 -169.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.733 177.588 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.596 -0.15 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 176.19 -70.6 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 122.984 0.514 . . . . 0.0 109.784 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -91.54 136.3 33.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.175 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -104.55 29.45 6.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.022 0.439 . . . . 0.0 110.621 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -64.16 -39.11 93.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.361 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.3 pt -74.53 145.98 83.02 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.022 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.34 130.63 29.53 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.389 2.726 . . . . 0.0 113.099 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -122.48 143.4 49.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.941 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -120.77 -174.54 2.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.261 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 1.6 pp0? -137.34 121.87 18.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.789 HD22 HD12 ' A' ' 18' ' ' ILE . 15.6 m120 -129.97 93.64 3.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.028 0.442 . . . . 0.0 110.476 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -89.01 -60.51 1.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.588 HD21 ' H ' ' A' ' 13' ' ' LEU . 2.5 pt? -71.45 -34.02 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.762 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.74 -87.88 0.32 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.536 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 68.71 86.73 0.13 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -79.48 6.21 10.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -168.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.4 mt -140.5 110.42 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 170.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.789 HD12 HD22 ' A' ' 11' ' ' ASN . 32.2 mt -107.84 131.12 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' HB3' HD12 ' A' ' 64' ' ' LEU . 42.2 mt-10 -95.31 126.62 40.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.182 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.457 HG21 HG22 ' A' ' 18' ' ' ILE . 16.7 pt -143.68 166.73 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.051 0.453 . . . . 0.0 111.918 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.52 23.85 8.81 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.723 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.74 168.48 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -118.39 -50.75 2.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.68 125.75 47.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.112 0.482 . . . . 0.0 110.644 -178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -166.99 -172.41 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.892 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.4 ttt -130.88 127.54 38.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.901 0.381 . . . . 0.0 110.528 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.94 137.17 58.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.355 175.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.9 t -115.5 142.07 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.52 147.43 4.61 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.506 -0.855 . . . . 0.0 112.34 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.6 155.82 19.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.795 0.331 . . . . 0.0 110.661 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 m -153.29 -83.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.771 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 44.6 mt-30 -139.31 -58.05 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.957 177.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.771 ' HD3' ' HB2' ' A' ' 32' ' ' GLN . 5.9 Cg_exo -79.76 -58.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.116 1.877 . . . . 0.0 112.368 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' HB2' ' HD2' ' A' ' 38' ' ' HIS . 83.2 m-85 -79.54 133.68 36.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.932 -176.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.21 -61.5 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.697 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.676 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 98.2 m-70 -136.13 -51.97 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.616 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.676 ' HD2' ' H ' ' A' ' 36' ' ' HIS . 26.6 Cg_endo -64.07 107.91 0.86 Allowed 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 121.635 1.557 . . . . 0.0 110.279 170.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.468 ' HE1' ' O ' ' A' ' 53' ' ' TYR . 1.6 t-80 -95.72 -84.97 0.33 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -166.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.0 mm -132.14 133.4 60.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 -171.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.27 120.23 18.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.779 0.323 . . . . 0.0 110.38 176.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm -115.36 134.85 57.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.745 0.307 . . . . 0.0 110.188 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.71 153.74 51.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.482 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.535 ' HE2' ' HB2' ' A' ' 49' ' ' LYS . 61.1 mtt -129.04 118.56 22.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.757 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.04 -60.41 0.48 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.8 175.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.9 p -121.73 8.74 10.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.0 110.988 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.595 HG21 ' HE3' ' A' ' 49' ' ' LYS . 23.6 p -97.9 132.2 43.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.46 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.11 -30.88 49.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.688 0.756 . . . . 0.0 109.393 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HB2' HD23 ' A' ' 57' ' ' LEU . 9.6 pt-20 -134.14 127.93 33.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.559 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.595 ' HE3' HG21 ' A' ' 46' ' ' THR . 15.2 mmtp -120.06 110.42 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.328 175.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.511 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.8 tt -92.04 156.5 3.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 54' ' ' CYS . 46.1 t -93.95 100.96 5.37 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 10.2 Cg_endo -52.94 -38.46 79.44 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.244 2.629 . . . . 0.0 111.57 -174.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.468 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 27.9 t80 -96.23 71.76 2.82 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.824 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.621 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 1.2 m 165.71 -60.25 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.82 0.848 . . . . 0.0 111.745 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 72.5 m 71.0 104.47 0.06 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.733 -160.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.459 ' OG1' ' HB3' ' A' ' 54' ' ' CYS . 1.1 m -165.6 33.0 0.05 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 -171.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 6.5 tt -36.24 101.79 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 113.581 -1.645 . . . . 0.0 112.257 -164.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.616 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 33.2 m-85 -86.78 105.02 16.7 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.075 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -104.64 129.07 52.83 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.723 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -91.2 94.68 9.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.38 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.531 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 14.5 t70 -93.96 136.82 23.37 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.041 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.45 -19.23 63.58 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.017 2.478 . . . . 0.0 113.254 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 t -84.64 -12.94 52.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 0.0 110.216 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.531 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 82.4 mt -88.5 173.56 8.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.5 m -150.95 -169.89 3.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.888 0.375 . . . . 0.0 111.173 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -82.95 -35.42 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.746 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -81.72 -33.57 31.04 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.079 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -111.86 122.69 48.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.606 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.1 t -117.74 -120.22 0.31 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.744 -176.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.604 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 7.6 p30 -100.35 164.06 17.03 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.465 0.306 . . . . 0.0 110.325 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.604 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 20.2 Cg_endo -60.94 164.29 14.42 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.169 2.58 . . . . 0.0 112.406 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.6 m 72.03 -68.35 0.22 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.365 -175.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 134.57 59.11 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.636 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.488 ' HB3' HD22 ' A' ' 70' ' ' ASN . 52.4 t -76.14 85.32 2.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.245 0.545 . . . . 0.0 109.837 176.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 3.0 pp -152.36 147.53 26.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.466 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -86.2 94.08 9.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.086 0.469 . . . . 0.0 110.931 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -137.2 110.32 9.07 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.458 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -84.62 8.32 4.69 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.014 2.476 . . . . 0.0 113.995 -173.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -131.59 149.47 52.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.015 0.436 . . . . 0.0 111.137 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 mt -116.68 128.16 55.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.11 124.12 24.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.791 -173.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -71.92 81.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 171.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -167.63 -22.98 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.744 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -71.46 79.65 0.78 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 110.82 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.6 t60 170.64 -50.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 155.85 -35.23 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.064 -1.88 . . . . 0.0 106.963 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.243 0.741 0 CA-C-N 113.864 -1.516 . . . . 0.0 108.409 171.704 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.834 0.35 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.58 78.87 9.09 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -128.53 165.63 20.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.159 -175.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -87.89 102.32 14.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.064 0.459 . . . . 0.0 109.987 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -84.15 -175.72 5.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 pt -71.26 143.1 87.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.491 ' HG2' HG23 ' A' ' 22' ' ' VAL . 74.9 Cg_exo -50.93 108.7 0.25 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.323 2.682 . . . . 0.0 113.147 -176.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -100.91 115.87 31.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.637 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.463 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 40.0 m-85 -102.26 177.14 4.96 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.966 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.435 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -133.93 147.09 51.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.165 -172.526 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -130.47 92.91 3.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.905 0.86 . . . . 0.0 109.978 172.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -88.48 -39.22 14.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.083 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -91.92 -0.3 57.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.328 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.68 78.56 0.27 Allowed Glycine 0 CA--C 1.52 0.352 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.928 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.498 ' HB3' HD11 ' A' ' 18' ' ' ILE . 2.8 t80 -86.0 121.71 29.01 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.757 ' HG3' ' HB3' ' A' ' 55' ' ' SER . 3.7 ttmp? -74.34 -33.45 63.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -166.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.7 mt -132.65 111.49 17.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.314 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 28.6 mm -109.11 124.01 65.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.624 ' HG3' ' HB3' ' A' ' 59' ' ' ARG . 10.7 mp0 -91.54 135.85 33.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 170.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.458 HG21 HG21 ' A' ' 18' ' ' ILE . 14.6 pt -144.43 163.85 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.709 0.29 . . . . 0.0 111.066 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.89 11.49 49.23 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.232 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG23 ' HG2' ' A' ' 7' ' ' PRO . 35.8 t -120.34 143.72 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.548 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 60.5 mttp -93.16 -24.24 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.664 0.268 . . . . 0.0 111.455 -176.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.69 116.26 31.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.082 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.463 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 63.5 t80 -140.02 145.6 37.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.016 0.436 . . . . 0.0 110.801 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.451 ' HG2' ' HB3' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -126.57 116.61 21.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 175.416 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 27.2 t -80.53 107.98 13.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.139 -176.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -81.62 -29.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.976 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.87 -105.67 1.93 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.13 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.61 -77.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.036 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 p -99.41 12.34 36.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.628 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.615 ' HG2' ' HA ' ' A' ' 37' ' ' PRO . 19.1 mt-30 60.26 92.52 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.365 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.998 -176.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.68 -13.71 35.27 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.877 2.385 . . . . 0.0 112.708 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -135.66 -171.37 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 20.1 m-20 -70.03 135.61 49.5 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 170.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.622 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 42.5 m80 71.6 165.31 0.13 Allowed Pre-proline 0 CA--C 1.537 0.469 0 O-C-N 123.827 0.704 . . . . 0.0 109.527 -171.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.622 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 5.4 Cg_exo -39.72 -66.41 0.14 Allowed 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.505 2.803 . . . . 0.0 113.22 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.781 ' HE1' ' HB2' ' A' ' 54' ' ' CYS . 10.6 t-160 -173.36 -97.98 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.996 173.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.491 HG23 ' HD2' ' A' ' 52' ' ' PRO . 33.0 mm -146.63 137.55 18.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -171.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.451 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 37.5 p90 -95.91 144.12 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.437 HG21 ' HD3' ' A' ' 49' ' ' LYS . 2.9 mp -120.92 117.69 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.1 0.476 . . . . 0.0 110.143 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -113.39 130.56 56.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.908 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.644 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 65.3 mtt -88.7 90.26 8.33 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.898 0.38 . . . . 0.0 110.552 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.6 -71.1 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.225 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 p -89.55 -5.46 57.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.874 0.369 . . . . 0.0 111.262 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -137.44 151.42 48.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.13 2.28 48.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.331 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 7.9 pt-20 -148.46 119.25 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.57 174.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HD3' HG21 ' A' ' 41' ' ' ILE . 71.0 tttt -133.3 138.57 46.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.919 -173.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.539 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 13.8 tt -92.91 156.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.534 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 54.0 t -93.66 108.04 31.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.491 ' HD2' HG23 ' A' ' 39' ' ' ILE . 50.1 Cg_exo -53.45 132.54 49.16 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.172 2.581 . . . . 0.0 112.397 -177.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 55.4 59.8 3.72 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.398 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.781 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 1.1 t -169.9 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.979 -173.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.757 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 47.9 m 64.59 97.48 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 O-C-N 123.88 0.737 . . . . 0.0 109.412 -172.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -166.72 35.34 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -170.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.539 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 4.5 tt -49.56 113.37 0.81 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.506 -166.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.655 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 69.2 m-85 -86.73 110.61 20.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.667 -174.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.624 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 42.5 ttm-85 -99.99 126.61 46.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.091 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.644 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 65.3 t80 -97.92 134.17 41.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.197 0.522 . . . . 0.0 111.224 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' OD2' ' HB2' ' A' ' 63' ' ' SER . 9.4 t0 -140.71 122.56 9.43 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.347 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.95 -15.33 32.42 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.035 2.49 . . . . 0.0 112.874 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.431 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 37.0 m -82.88 -7.48 59.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 111.034 178.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.34 129.07 37.37 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -80.63 160.77 24.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.809 0.338 . . . . 0.0 110.684 -178.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -66.51 -18.35 65.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.096 0.474 . . . . 0.0 110.64 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -90.64 5.89 46.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.683 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -129.83 143.01 50.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.182 0.515 . . . . 0.0 111.478 -174.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -116.93 -138.5 0.36 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.798 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 26.2 p-10 -100.45 -174.17 0.34 Allowed Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.798 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 75.5 Cg_exo -39.34 110.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.26 0 C-N-CA 122.253 1.969 . . . . 0.0 111.537 174.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 m -50.4 98.03 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.17 -165.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.2 14.43 0.85 Allowed Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 114.832 -1.077 . . . . 0.0 110.531 173.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.7 m -152.24 77.66 1.2 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.185 -0.507 . . . . 0.0 109.82 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.02 115.61 11.31 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.435 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 81.7 t80 -110.51 96.66 6.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.225 0.536 . . . . 0.0 111.221 -177.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -137.13 109.58 9.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.368 172.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.22 107.77 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.967 2.445 . . . . 0.0 113.071 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -89.92 -164.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.761 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.28 67.71 3.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.648 0.737 . . . . 0.0 110.117 174.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -101.71 21.59 14.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.282 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -96.07 111.66 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.725 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.474 ' HD2' ' O ' ' A' ' 86' ' ' HIS . 4.1 t-160 -81.32 9.46 7.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.338 0.59 . . . . 0.0 110.354 -177.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -92.94 -5.39 50.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -80.37 -40.63 26.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.219 0.533 . . . . 0.0 109.864 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.474 ' O ' ' HD2' ' A' ' 83' ' ' HIS . 55.8 t-80 -135.6 126.96 28.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.8 p80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.04 -176.778 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.75 27.2 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.59 0.71 . . . . 0.0 110.057 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -118.63 -169.18 1.67 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.858 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -104.18 -6.37 21.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.335 -173.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.524 ' HB3' ' HH ' ' A' ' 66' ' ' TYR . 38.9 t30 64.45 99.84 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.728 0.642 . . . . 0.0 110.374 -173.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.2 mm -85.01 112.89 46.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.521 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -80.79 -178.29 4.31 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.786 2.324 . . . . 0.0 112.642 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.469 ' HB3' ' HB3' ' A' ' 76' ' ' TYR . 37.7 m80 -116.0 138.14 51.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.268 0.556 . . . . 0.0 110.906 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -114.98 -173.9 2.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.785 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -112.44 168.81 9.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.368 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -72.33 147.33 46.41 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -169.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 9.5 p-10 -73.08 -18.41 61.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.076 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.573 ' H ' HD11 ' A' ' 13' ' ' LEU . 5.0 mp -62.17 -30.92 71.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.322 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.75 -36.07 3.58 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.92 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 60.5 m-85 -120.05 104.72 10.37 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -92.69 -3.27 55.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.434 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.5 mt -140.12 110.62 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.799 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 48.1 mm -107.05 124.39 62.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.217 0.532 . . . . 0.0 111.443 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.662 ' HG2' ' HB3' ' A' ' 59' ' ' ARG . 77.5 mt-10 -100.26 136.19 40.53 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.5 pt -150.05 157.89 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 123.036 0.21 . . . . 0.0 110.74 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.79 34.73 5.54 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.053 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.0 t -122.83 148.19 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 57.0 mttm -91.68 -39.21 11.97 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.74 0.305 . . . . 0.0 110.639 -178.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -111.74 127.85 55.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.429 ' HE1' ' SD ' ' A' ' 43' ' ' MET . 50.9 p90 -159.81 -177.56 6.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.98 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.54 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 26.2 ttt -133.11 134.91 44.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.872 0.367 . . . . 0.0 110.357 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.5 t -74.25 134.04 42.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.2 t -76.4 158.7 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.305 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.43 -141.22 4.62 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.923 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.62 -76.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.479 0.18 . . . . 0.0 111.43 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.4 p -85.13 -88.91 0.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.662 0.268 . . . . 0.0 111.235 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -159.54 78.42 2.82 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.125 0.488 . . . . 0.0 111.583 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.34 -56.02 0.17 Allowed 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.257 1.971 . . . . 0.0 110.951 174.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -122.18 -10.7 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.949 174.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -175.51 -68.16 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.439 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.684 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 64.1 m80 -148.61 -51.04 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.414 174.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.684 ' HD3' ' HB2' ' A' ' 36' ' ' HIS . 2.7 Cg_exo -77.43 -173.67 1.89 Allowed 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.098 1.865 . . . . 0.0 111.061 171.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -89.56 -96.87 0.1 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.27 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.1 tt -148.2 155.42 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.54 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 37.4 p90 -77.47 134.33 38.37 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.245 0.341 . . . . 0.0 110.616 177.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 61.1 mt -127.97 140.38 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.533 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 5.2 p-10 -134.5 143.06 47.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.0 111.28 179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 1.022 ' HE1' ' HB3' ' A' ' 49' ' ' LYS . 2.0 mpt? -107.67 125.12 50.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.126 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.09 -77.48 1.05 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.517 170.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -127.82 79.41 1.89 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 173.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 m -137.48 125.59 22.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.365 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.08 -36.81 72.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.127 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HB2' HD22 ' A' ' 57' ' ' LEU . 12.4 pt-20 -156.67 127.84 6.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.943 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 1.022 ' HB3' ' HE1' ' A' ' 43' ' ' MET . 52.4 tttp -127.43 124.02 37.46 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -176.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 11.3 tt -88.66 154.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.015 0.436 . . . . 0.0 111.453 -173.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.55 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 53.3 t -96.36 103.23 13.29 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.04 -62.88 0.34 Allowed 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 123.739 2.959 . . . . 0.0 113.825 -171.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -80.69 35.36 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 88.9 m -155.51 -47.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 m 69.66 95.53 0.07 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -164.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.412 HG21 HG12 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -158.32 33.68 0.24 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 -171.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 2.6 tt -37.83 107.92 0.07 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 113.688 -1.596 . . . . 0.0 112.235 -163.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.799 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 94.6 m-85 -85.37 105.84 16.31 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.391 -176.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.662 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . 19.7 ttt180 -94.05 113.92 25.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.383 -177.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -103.7 92.72 4.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.875 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -106.51 138.42 19.73 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.109 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.13 -20.75 14.83 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 123.439 2.76 . . . . 0.0 113.877 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.5 m -73.7 -14.55 61.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.004 0.43 . . . . 0.0 110.604 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.36 -178.53 4.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.954 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 70.5 m -159.08 -178.1 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.589 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.524 ' HH ' ' HB3' ' A' ' 5' ' ' ASN . 71.0 t80 -61.93 -44.16 97.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.879 -174.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -87.78 -1.16 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.348 0.595 . . . . 0.0 110.689 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -104.92 116.58 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 t -100.08 -131.44 0.24 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.864 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.525 ' C ' HD21 ' A' ' 70' ' ' ASN . 0.3 OUTLIER -100.66 163.81 17.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 122.314 -0.241 . . . . 0.0 110.926 -174.651 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 74.6 Cg_exo -49.13 126.12 14.74 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.142 2.561 . . . . 0.0 111.659 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 87.7 m 67.94 105.62 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 O-C-N 123.582 0.552 . . . . 0.0 109.759 -170.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.08 97.25 0.1 Allowed Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 113.166 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.63 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 41.4 m -92.0 -94.52 0.14 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER 47.13 -175.36 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.309 1.006 . . . . 0.0 112.221 -177.58 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.469 ' HB3' ' HB3' ' A' ' 8' ' ' HIS . 28.5 t80 -113.05 96.71 6.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.133 0.492 . . . . 0.0 110.302 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -116.08 106.83 48.78 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.371 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -73.47 96.41 0.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.615 2.21 . . . . 0.0 112.757 -176.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -98.61 94.74 6.83 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 173.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.6 mt -90.94 122.59 33.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.232 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 82' ' ' HIS . 0.8 OUTLIER -144.1 -162.55 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 171.277 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.542 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 17.5 p-80 49.19 23.89 0.87 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.052 0.941 . . . . 0.0 111.927 -176.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -98.91 131.66 44.82 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 175.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -151.4 140.32 20.99 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.601 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -90.93 -40.02 11.94 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 170.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -130.27 -44.27 1.14 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.428 -1.26 . . . . 0.0 108.457 165.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.663 -0.684 . . . . 0.0 109.789 173.042 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.17 138.8 42.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.673 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -78.79 116.88 19.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.912 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -70.02 105.14 2.76 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -78.9 154.63 29.56 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.232 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.9 pt -71.36 137.99 83.95 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.003 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.47 126.11 19.79 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.489 2.126 . . . . 0.0 112.66 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.706 ' HD2' ' HB3' ' A' ' 76' ' ' TYR . 4.8 p-80 -90.68 127.3 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.356 174.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -106.86 172.62 6.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -170.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.523 HE22 ' HD3' ' A' ' 79' ' ' LYS . 3.8 pt20 -162.3 142.7 10.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.946 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -132.28 113.72 13.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.33 -22.36 60.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.257 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD11 ' HG1' ' A' ' 72' ' ' THR . 50.6 mt -86.62 -25.16 25.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.862 0.363 . . . . 0.0 110.977 -175.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.12 -92.51 1.65 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.739 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 68.78 -176.32 0.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.195 0.598 . . . . 0.0 110.65 -176.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 56' ' ' THR . 59.2 mttm -128.52 10.49 6.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.37 0.605 . . . . 0.0 110.378 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.7 mt -147.58 110.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.587 173.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.735 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 94.1 mt -107.95 129.46 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.899 175.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.98 137.02 32.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.747 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 13.9 pt -137.46 148.68 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.896 0.379 . . . . 0.0 111.2 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.44 23.23 33.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.206 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.8 m -136.23 146.65 28.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -95.82 6.97 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.998 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -131.74 118.38 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.085 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.624 ' HD1' HD12 ' A' ' 41' ' ' ILE . 52.8 t80 -141.06 157.62 45.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.362 -172.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 23.8 ttt -147.11 150.87 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 169.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.9 m -57.44 -49.54 75.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.587 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.5 t 69.84 -54.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 122.96 0.504 . . . . 0.0 110.22 -172.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.11 -179.99 29.06 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 34' ' ' PHE . . . -176.24 -36.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.131 0.466 . . . . 0.0 110.751 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.937 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 55.7 p 67.33 -73.28 0.08 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.717 1.207 . . . . 0.0 111.904 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.545 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 1.7 mp0 -68.34 -54.67 14.22 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 117.835 0.288 . . . . 0.0 111.108 178.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HD3' ' HB2' ' A' ' 32' ' ' GLN . 10.9 Cg_exo -74.34 42.23 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.35 2.033 . . . . 0.0 111.659 169.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 53' ' ' TYR . 71.8 m-85 72.72 117.67 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.244 1.018 . . . . 0.0 111.69 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.937 ' HB3' ' HA ' ' A' ' 31' ' ' THR . 7.9 p-10 -82.48 -168.92 2.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.531 176.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.745 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 36.4 m80 69.42 175.3 0.08 OUTLIER Pre-proline 0 N--CA 1.469 0.492 0 O-C-N 123.49 0.494 . . . . 0.0 109.739 -175.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.745 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 19.3 Cg_endo -60.39 94.67 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 121.829 1.686 . . . . 0.0 110.959 171.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 53' ' ' TYR . 12.8 t-80 -71.04 -79.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 -172.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' MET . 22.6 mm -144.66 137.08 21.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.934 -169.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -81.68 130.71 35.15 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.624 HD12 ' HD1' ' A' ' 25' ' ' PHE . 25.0 mt -124.23 85.41 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.857 0.36 . . . . 0.0 111.003 -173.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -107.0 135.59 48.3 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -83.73 -56.7 3.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.435 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.99 -91.31 0.15 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.585 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.3 m -72.88 -34.83 66.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.716 0.293 . . . . 0.0 111.373 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -96.06 165.22 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.193 0.52 . . . . 0.0 111.83 -174.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.62 23.81 13.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.985 0.898 . . . . 0.0 109.217 175.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -163.95 155.0 15.91 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.23 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -165.25 146.67 7.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.384 . . . . 0.0 110.452 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.2 tt -108.31 142.35 21.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 36.8 t -94.12 119.37 66.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.171 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 11.8 Cg_endo -56.24 144.77 80.38 Favored 'Trans proline' 0 C--O 1.239 0.566 0 C-N-CA 122.607 2.204 . . . . 0.0 111.453 177.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.552 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 92.6 m-85 65.84 13.02 8.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.633 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.9 m -134.16 -55.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.154 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.0 m 55.47 87.24 0.05 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.576 0.703 . . . . 0.0 111.395 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 2.9 m -151.66 57.53 0.87 Allowed 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -30.16 112.17 0.08 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 113.676 -1.602 . . . . 0.0 112.79 -164.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.735 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 71.9 m-85 -85.76 107.34 17.57 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.508 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 59' ' ' ARG . 17.1 tpt85 -101.46 121.65 42.34 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.673 -174.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -92.62 97.31 10.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.092 0.472 . . . . 0.0 109.825 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.502 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 11.2 m-20 -90.9 131.66 36.74 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.629 176.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.24 -12.48 35.01 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.385 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -84.86 -9.96 57.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.382 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.502 ' HG ' ' HB2' ' A' ' 61' ' ' ASP . 93.3 mt -89.53 170.42 10.51 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.67 -178.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 m -153.41 -160.81 1.16 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.78 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -67.22 -41.41 85.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.737 0.303 . . . . 0.0 110.855 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -92.61 -47.09 7.28 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.396 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -84.53 116.62 23.23 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.747 ' OG1' ' HA ' ' A' ' 20' ' ' ILE . 3.0 t -151.2 -59.93 0.17 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.329 0.585 . . . . 0.0 110.525 -175.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.711 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 8.2 p30 -152.52 165.92 16.49 Favored Pre-proline 0 C--N 1.312 -1.042 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.711 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 18.9 Cg_endo -60.31 134.29 54.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 123.024 2.483 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.448 ' HG1' HD11 ' A' ' 13' ' ' LEU . 28.0 m 80.5 142.28 0.07 Allowed 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.827 0.704 . . . . 0.0 110.8 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.95 109.83 1.65 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.467 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.565 ' HG ' HG23 ' A' ' 69' ' ' THR . 30.1 p -76.86 -10.27 59.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.628 0.251 . . . . 0.0 111.532 -176.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 75' ' ' LEU . 3.8 mm? -78.63 130.13 35.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.706 ' HB3' ' HD2' ' A' ' 8' ' ' HIS . 37.4 t80 -80.71 94.75 6.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.437 0.636 . . . . 0.0 109.998 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -119.41 156.81 52.79 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.212 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.92 99.2 0.09 OUTLIER 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.576 2.184 . . . . 0.0 112.48 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.523 ' HD3' HE22 ' A' ' 10' ' ' GLN . 40.6 mtmt -86.45 91.21 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.44 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.2 tp -81.09 -29.7 34.84 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.97 -174.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 59.87 74.86 0.43 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.558 0.536 . . . . 0.0 110.969 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -75.72 -80.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 40.96 -126.84 0.49 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.983 0.802 . . . . 0.0 110.377 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 58.43 90.36 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.534 0.522 . . . . 0.0 112.168 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -81.08 159.02 24.85 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.097 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -102.42 -52.53 3.1 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 . . . . . 0 C--O 1.245 0.852 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.151 176.167 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mtp . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.28 110.26 15.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.866 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 p30 44.26 44.42 6.58 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.295 0.997 . . . . 0.0 112.142 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -72.72 144.4 47.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.787 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -59.14 124.16 19.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.445 0.64 . . . . 0.0 111.465 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 pt -115.57 155.71 46.99 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.049 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.93 136.98 73.34 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.348 2.032 . . . . 0.0 111.604 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -107.66 155.65 19.92 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -116.74 159.88 21.61 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -128.23 141.44 51.46 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.571 ' HA ' ' HE1' ' A' ' 15' ' ' TYR . 5.8 p-10 -119.21 112.28 19.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.709 . . . . 0.0 111.394 -178.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -88.29 -68.02 0.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.285 175.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.779 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.0 pt? -96.29 -8.02 33.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.476 179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.16 144.48 14.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.526 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.571 ' HE1' ' HA ' ' A' ' 11' ' ' ASN . 36.8 m-85 -128.61 108.58 10.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 55' ' ' SER . 91.7 mttt -102.65 -5.59 23.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.463 -173.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.7 mt -143.42 110.35 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.697 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 70.6 mt -124.23 119.44 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.205 0.526 . . . . 0.0 111.57 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 33.8 mt-10 -92.9 132.43 37.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.883 176.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.433 HD13 HG21 ' A' ' 22' ' ' VAL . 24.8 pt -133.84 155.45 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.805 0.336 . . . . 0.0 111.413 -174.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.492 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -95.79 17.99 58.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.539 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG21 HD13 ' A' ' 20' ' ' ILE . 30.5 m -124.41 176.29 5.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.74 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 39.5 ttmt -115.8 -25.79 7.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.209 0.528 . . . . 0.0 110.537 -176.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.8 104.63 12.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.266 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -146.73 152.26 38.52 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.444 ' HE1' ' HB2' ' A' ' 37' ' ' PRO . 26.2 ttt -114.46 128.37 56.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.967 0.413 . . . . 0.0 110.574 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 8.5 t -69.82 125.15 25.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.623 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 36' ' ' HIS . 3.6 p -110.94 132.77 58.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -155.07 61.16 0.37 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.836 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . . . -65.71 95.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.772 0.32 . . . . 0.0 111.282 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 m -157.96 -59.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.358 177.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.795 ' HB3' ' HD3' ' A' ' 33' ' ' PRO . 6.7 tp-100 -136.44 -57.74 0.02 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.202 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.795 ' HD3' ' HB3' ' A' ' 32' ' ' GLN . 5.9 Cg_exo -78.91 101.96 1.49 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.893 1.728 . . . . 0.0 111.02 175.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 87.7 m-85 75.25 142.27 0.07 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.405 1.066 . . . . 0.0 110.519 -172.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -79.82 -25.8 40.7 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -169.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.698 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 98.4 m-70 -132.34 -58.61 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.483 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.698 ' HD3' ' HB2' ' A' ' 36' ' ' HIS . 91.9 Cg_endo -87.38 -157.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 121.784 1.656 . . . . 0.0 111.537 178.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -147.59 -86.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.773 0.321 . . . . 0.0 110.567 171.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.5 mm -144.02 134.37 20.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.01 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.438 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 37.3 p90 -76.54 138.28 40.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.437 HG13 ' CD2' ' A' ' 58' ' ' TYR . 47.4 mm -119.25 110.35 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.156 0.503 . . . . 0.0 110.833 -178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -105.73 130.72 53.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.501 174.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.74 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 61.5 mtt -95.85 95.24 8.13 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.33 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.66 62.72 3.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.873 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.0 m 63.62 91.57 0.07 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.214 0.606 . . . . 0.0 111.096 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.9 t -161.72 164.61 28.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.37 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.79 -43.74 21.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.25 0.547 . . . . 0.0 109.761 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -159.22 147.85 18.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.425 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -136.55 133.59 36.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.776 0.322 . . . . 0.0 110.405 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 5.8 tt -79.82 167.87 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.457 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.9 t -119.39 111.37 36.6 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.828 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -58.96 145.25 98.03 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.853 2.368 . . . . 0.0 112.836 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.554 ' O ' ' HB3' ' A' ' 54' ' ' CYS . 70.1 m-85 69.74 32.76 3.14 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.987 172.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 53' ' ' TYR . 14.5 p 172.79 -27.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 170.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 48.0 m 69.49 139.67 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.552 0.691 . . . . 0.0 109.866 -168.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.3 m -167.18 -18.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER 27.55 88.61 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 113.472 -1.695 . . . . 0.0 113.589 169.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.697 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 79.4 m-85 -88.17 117.1 26.83 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.228 0.537 . . . . 0.0 110.341 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 36.3 mtp180 -106.82 140.95 38.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.814 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.452 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 69.7 t80 -119.28 98.75 6.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.399 0.619 . . . . 0.0 110.603 177.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -100.56 133.73 21.09 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.03 -18.5 13.51 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.055 2.503 . . . . 0.0 113.785 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.8 p -83.81 -9.44 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.218 -0.301 . . . . 0.0 111.374 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.5 mt -83.36 115.59 22.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.492 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 41.3 m -66.5 158.92 28.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -69.88 -3.57 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -115.26 4.97 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.174 0.511 . . . . 0.0 110.108 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -97.99 154.96 17.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.446 -174.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.482 HG23 HD23 ' A' ' 75' ' ' LEU . 14.6 t -148.39 -161.52 1.36 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.767 -176.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.498 ' HB3' HG21 ' A' ' 18' ' ' ILE . 26.4 t-20 -100.67 138.91 20.22 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 6.1 Cg_exo -77.37 -172.43 1.45 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 124.139 3.226 . . . . 0.0 114.5 -168.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.1 m 83.29 73.78 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.072 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 49.88 55.61 14.24 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.847 -0.615 . . . . 0.0 113.542 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.6 p -101.29 -175.64 2.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -175.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.482 HD23 HG23 ' A' ' 69' ' ' THR . 3.7 mm? 73.19 123.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.711 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -101.93 83.06 2.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -90.08 163.97 29.8 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.591 -171.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.35 155.18 16.85 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.625 2.217 . . . . 0.0 111.292 170.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -82.85 32.36 0.43 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.708 -170.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.9 tp 52.53 69.23 0.71 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.902 0.858 . . . . 0.0 109.485 -173.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -102.24 -166.83 1.33 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.067 -171.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -79.6 174.27 11.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.409 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -74.27 92.55 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -73.9 112.97 10.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.413 0.625 . . . . 0.0 112.076 -174.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -76.76 115.9 16.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.848 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -73.93 -64.92 0.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.87 0.366 . . . . 0.0 110.383 -176.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 . . . . . 0 C--O 1.246 0.908 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 176.656 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.07 175.8 0.23 Allowed 'General case' 0 C--O 1.234 0.284 0 O-C-N 124.018 0.824 . . . . 0.0 111.701 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.13 92.37 6.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -171.8 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.503 -174.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -75.07 138.68 42.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.744 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 48.7 mm -73.67 121.64 85.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.374 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 24.3 Cg_exo -63.45 135.89 52.01 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.897 2.398 . . . . 0.0 112.994 -177.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -125.24 153.02 43.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.543 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 42.8 m-85 -117.23 177.67 4.64 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.732 -172.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -131.01 154.69 47.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.685 0.279 . . . . 0.0 110.598 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -118.5 93.24 4.04 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.35 -67.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.21 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.745 HD21 ' H ' ' A' ' 13' ' ' LEU . 1.7 pt? -83.87 -28.09 28.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . 135.87 -85.47 0.25 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.437 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 12.6 m-85 73.5 122.26 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.321 0.659 . . . . 0.0 111.27 -175.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' HA ' ' O ' ' A' ' 55' ' ' SER . 64.2 mttp -99.54 3.81 45.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.218 176.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -140.6 110.77 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.582 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.76 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 26.6 mm -108.42 121.52 61.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.722 0.772 . . . . 0.0 111.505 173.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.24 130.3 44.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.518 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.502 HG23 ' CZ ' ' A' ' 9' ' ' PHE . 1.5 pp -149.04 164.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.936 0.398 . . . . 0.0 111.708 -174.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.28 19.6 31.71 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.415 ' O ' HD13 ' A' ' 20' ' ' ILE . 39.3 t -109.56 125.03 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.692 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 34.9 mtmt -93.14 -22.56 19.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.008 0.433 . . . . 0.0 110.941 -175.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -130.15 104.62 7.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.603 -171.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -156.63 171.52 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.343 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.53 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -112.22 120.48 41.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.25 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.612 ' HB3' ' O ' ' A' ' 39' ' ' ILE . 2.6 t -73.98 137.47 43.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.119 0.485 . . . . 0.0 111.614 -176.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.8 HG21 ' H ' ' A' ' 29' ' ' GLY . 11.3 p -100.97 -141.48 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.8 ' H ' HG21 ' A' ' 28' ' ' VAL . . . 120.57 -56.89 0.59 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.884 176.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' HB3' ' HB2' ' A' ' 33' ' ' PRO . . . -84.09 -46.81 11.57 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.0 m 77.12 -44.47 0.45 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.462 176.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.897 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -119.31 -51.05 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 119.411 -0.328 . . . . 0.0 111.483 177.582 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.634 ' HD3' ' HB3' ' A' ' 32' ' ' GLN . 50.0 Cg_exo -55.94 162.74 6.66 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.957 1.771 . . . . 0.0 111.914 172.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 82.9 m-85 67.17 -163.18 0.22 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.225 -171.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -113.4 117.77 32.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.977 ' HB2' ' HD2' ' A' ' 37' ' ' PRO . 14.4 p80 48.31 -167.67 0.01 OUTLIER Pre-proline 0 N--CA 1.478 0.965 0 O-C-N 124.044 0.84 . . . . 0.0 111.12 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.977 ' HD2' ' HB2' ' A' ' 36' ' ' HIS . 40.1 Cg_exo -38.28 137.24 0.52 Allowed 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 121.997 1.798 . . . . 0.0 111.648 167.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.476 ' HE1' ' O ' ' A' ' 52' ' ' PRO . 13.2 t-80 -53.24 -81.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -165.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.612 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 51.1 mt -147.79 127.28 4.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.009 -173.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 54.5 p90 -77.6 142.13 39.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.996 0.427 . . . . 0.0 110.839 -176.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.5 mm -113.37 127.07 70.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -131.48 111.8 12.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.344 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.692 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mpt? -75.06 82.83 2.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.988 0.423 . . . . 0.0 110.511 176.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.09 72.12 1.14 Allowed Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.832 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.4 m 66.85 13.41 9.4 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.148 0.579 . . . . 0.0 111.466 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 t -104.49 156.23 18.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.183 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.63 -35.81 22.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.6 -174.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' HB2' HD22 ' A' ' 57' ' ' LEU . 10.6 pt-20 -139.21 145.14 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.889 0.376 . . . . 0.0 111.411 -177.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -144.12 136.12 26.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.027 174.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 55' ' ' SER . 14.8 tt -104.36 144.99 13.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 44.4 t -93.63 115.55 65.24 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 178.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.476 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 31.5 Cg_exo -58.95 147.41 89.81 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.775 2.317 . . . . 0.0 110.886 176.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 62.81 34.23 14.65 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.437 0.461 . . . . 0.0 110.438 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.1 m -155.1 -49.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.068 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.602 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 13.0 p 48.02 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.71 0.767 . . . . 0.0 110.12 -166.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m -158.77 41.69 0.24 Allowed 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 -169.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 48' ' ' GLU . 8.5 tt -40.22 114.22 0.43 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 113.822 -1.536 . . . . 0.0 112.163 -165.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.76 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 71.4 m-85 -91.12 113.71 26.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.637 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 ttp85 -109.63 126.36 53.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.905 0.383 . . . . 0.0 110.674 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -96.94 100.97 12.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.858 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.98 133.56 21.24 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.2 -11.16 7.38 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.542 2.828 . . . . 0.0 114.412 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.1 p -77.75 -16.96 58.05 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 110.304 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.4 -173.54 2.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.934 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 t -165.69 -167.98 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -69.42 -33.71 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.919 0.39 . . . . 0.0 110.649 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -94.96 -23.82 17.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.37 116.92 25.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.958 0.409 . . . . 0.0 110.505 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 t -115.56 -143.51 0.38 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.748 -175.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.6 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 4.2 p-10 -100.22 162.66 20.21 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 122.48 0.312 . . . . 0.0 111.537 -171.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.6 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 7.6 Cg_endo -50.19 149.77 11.69 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.669 2.913 . . . . 0.0 112.78 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.9 m 74.07 -49.25 0.67 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.218 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 108.38 105.65 3.01 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.304 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.1 m -130.25 89.83 2.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.086 0.47 . . . . 0.0 110.564 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.543 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 3.1 pp -138.39 151.29 47.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.871 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -84.29 102.51 12.73 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.256 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -83.44 116.96 67.15 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.701 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.08 122.72 11.93 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -76.79 134.06 39.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.405 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 93.8 mt -102.87 80.34 1.87 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.71 116.46 20.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.768 -174.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -119.49 39.31 3.64 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.391 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -67.99 -22.29 65.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.302 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -79.66 101.28 8.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -53.9 118.02 3.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.635 0.731 . . . . 0.0 112.188 -169.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -82.55 146.75 29.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.48 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.345 178.158 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.018 0.437 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.49 176.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.404 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -87.15 130.27 34.6 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 172.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -102.44 16.48 26.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.931 0.396 . . . . 0.0 111.556 -171.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -110.64 75.7 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.982 0.42 . . . . 0.0 110.328 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.9 pt -79.39 148.47 70.46 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.2 117.84 4.71 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.792 2.328 . . . . 0.0 112.321 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 65.3 m80 -90.83 133.66 35.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -110.75 156.73 20.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.756 0.313 . . . . 0.0 111.316 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.474 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 8.8 pt20 -131.52 163.02 28.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.132 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.52 ' HB3' ' HD2' ' A' ' 15' ' ' TYR . 16.8 p-10 -98.67 114.81 27.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.275 0.559 . . . . 0.0 110.722 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.428 ' HB3' HG23 ' A' ' 72' ' ' THR . 24.9 t70 -83.81 -55.84 4.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.301 178.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -115.31 9.23 15.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.555 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.7 -166.4 12.26 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.445 -177.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.52 ' HD2' ' HB3' ' A' ' 11' ' ' ASN . 28.7 p90 -162.47 157.93 23.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -162.42 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.451 HG23 HD21 ' A' ' 57' ' ' LEU . 71.4 mt -137.43 110.47 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.077 169.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 62.9 mt -108.84 117.92 55.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.131 0.491 . . . . 0.0 111.5 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' HB3' HD11 ' A' ' 64' ' ' LEU . 37.8 mt-10 -91.45 128.25 37.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.01 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 pt -125.84 147.21 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 111.135 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.13 31.77 8.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.648 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 t -120.59 149.31 23.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HD3' ' HB2' ' A' ' 43' ' ' MET . 3.2 tmtm? -83.98 -32.01 25.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.069 0.461 . . . . 0.0 110.389 -175.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -124.19 140.94 52.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.048 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -155.79 167.84 29.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 37' ' ' PRO . 19.3 ttt -146.48 141.69 27.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.869 0.366 . . . . 0.0 110.473 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.76 135.41 48.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.076 -175.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.86 HG21 ' H ' ' A' ' 29' ' ' GLY . 9.8 p -106.92 -164.79 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.431 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.86 ' H ' HG21 ' A' ' 28' ' ' VAL . . . -159.43 -174.61 29.38 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.646 -0.581 . . . . 0.0 111.646 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.7 -86.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.142 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 p -94.67 -63.67 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.096 0.474 . . . . 0.0 110.093 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -116.74 103.09 52.82 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.667 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.03 -31.9 22.75 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.886 2.39 . . . . 0.0 112.57 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.832 ' HB2' ' HD2' ' A' ' 38' ' ' HIS . 44.5 t80 177.56 174.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -174.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.2 -32.88 70.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.616 0.722 . . . . 0.0 110.134 174.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.67 ' O ' ' HB3' ' A' ' 34' ' ' PHE . 37.2 m80 -129.28 179.47 1.29 Allowed Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 174.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 71.3 Cg_exo -50.19 127.33 19.53 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 121.121 1.214 . . . . 0.0 109.61 166.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.832 ' HD2' ' HB2' ' A' ' 34' ' ' PHE . 2.8 t-80 -49.42 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 -159.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.414 ' O ' ' HG3' ' A' ' 26' ' ' MET . 30.1 mm -144.19 130.86 16.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.035 -173.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -71.75 130.67 41.68 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.496 0.498 . . . . 0.0 109.67 174.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -121.79 88.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.366 0.603 . . . . 0.0 110.465 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.78 155.77 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.643 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.514 ' HB2' ' HD3' ' A' ' 23' ' ' LYS . 13.8 mmt -119.92 45.82 2.08 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.538 -176.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.74 -46.72 59.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.602 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.2 t -169.42 98.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.765 HG22 ' HG3' ' A' ' 49' ' ' LYS . 17.0 m -155.11 -40.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.867 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 77.39 -52.37 0.54 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.068 0.947 . . . . 0.0 110.368 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' HB2' HD22 ' A' ' 57' ' ' LEU . 4.2 pt-20 -132.04 113.41 13.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.762 176.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.765 ' HG3' HG22 ' A' ' 46' ' ' THR . 9.3 tttp -116.25 114.55 24.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -173.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.533 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.2 tt -84.73 141.58 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.7 t -95.36 121.8 61.03 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.328 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.11 153.98 42.36 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 122.842 2.362 . . . . 0.0 111.828 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.547 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.9 m-85 61.52 26.61 16.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.612 -178.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 55' ' ' SER . 86.9 m -149.69 -69.14 0.2 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 49.4 m 70.44 117.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -160.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t 177.84 -14.71 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -165.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 5.4 tt 27.7 87.47 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 125.131 1.519 . . . . 0.0 113.024 172.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 78.4 m-85 -80.35 116.33 20.37 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -110.77 121.9 46.47 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.006 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -84.19 88.01 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -94.62 122.06 61.69 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.516 -173.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.68 -17.48 59.1 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.083 2.522 . . . . 0.0 113.564 -176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -81.43 -7.74 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.509 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 HD11 ' HB3' ' A' ' 19' ' ' GLU . 98.1 mt -86.64 -165.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -152.67 168.92 24.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.11 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -63.69 -25.24 68.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.191 0.519 . . . . 0.0 110.285 175.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -98.0 -6.72 31.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.354 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -133.59 116.52 15.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.865 0.364 . . . . 0.0 110.939 -173.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 t -116.05 -122.28 0.29 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 7.2 t30 -100.44 134.15 20.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 10.9 Cg_exo -69.55 106.87 1.7 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.517 2.145 . . . . 0.0 111.38 -177.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 12' ' ' ASP . 8.0 m 172.46 146.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -173.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.68 70.92 0.17 Allowed Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.027 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 53.7 m -82.7 -153.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.731 0.413 . . . . 0.0 111.054 -176.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 3.2 mm? 64.18 95.61 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.838 0.711 . . . . 0.0 111.623 -177.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.474 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 3.9 t80 -88.29 89.47 8.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.151 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -130.26 124.09 21.04 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.488 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.79 132.56 28.89 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.609 2.206 . . . . 0.0 112.476 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -94.78 1.67 55.44 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.484 0.659 . . . . 0.0 109.511 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.7 mt -94.05 138.8 31.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.64 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -127.95 164.67 21.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.338 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -138.54 140.73 39.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -73.13 -60.45 2.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -143.02 -69.6 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 170.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -156.41 115.15 3.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.238 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.06 -71.98 0.19 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 C--O 1.246 0.914 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 176.421 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.716 0.293 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.91 165.99 12.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.647 0.26 . . . . 0.0 110.695 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.33 96.64 10.76 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -97.56 44.32 1.05 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.446 0.641 . . . . 0.0 110.372 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -72.5 80.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.969 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.2 pt -71.11 138.56 84.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.215 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.4 120.46 8.13 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.985 2.457 . . . . 0.0 112.445 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.486 ' HD2' ' HB3' ' A' ' 76' ' ' TYR . 19.4 p-80 -130.9 124.17 30.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.373 177.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 38.3 m-85 -112.0 -179.46 3.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.009 -171.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' HG2' ' H ' ' A' ' 75' ' ' LEU . 10.1 pt20 -120.27 159.34 25.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.302 -175.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.438 ' HB3' ' HA2' ' A' ' 14' ' ' GLY . 28.4 m-80 -119.53 101.62 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.739 174.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.77 -63.47 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.476 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.529 HD22 ' H ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -105.2 -1.2 25.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.689 178.355 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.438 ' HA2' ' HB3' ' A' ' 11' ' ' ASN . . . 83.56 104.13 0.53 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.539 -175.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.418 ' OH ' HG21 ' A' ' 72' ' ' THR . 35.4 m-85 -96.88 133.79 41.05 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -176.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -84.83 -20.13 31.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.423 -174.48 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.75 110.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 172.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.671 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.1 mt -112.18 117.24 54.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.723 0.773 . . . . 0.0 111.552 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -91.38 140.04 30.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.783 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 pt -145.08 160.9 13.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.699 0.285 . . . . 0.0 110.232 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -100.22 22.76 38.65 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.619 175.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 t -118.35 140.35 42.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -178.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.523 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 35.2 ttmt -94.62 -19.16 20.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.096 0.474 . . . . 0.0 110.834 -175.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -117.07 111.3 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.043 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -139.84 144.9 37.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.01 0.433 . . . . 0.0 111.07 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.511 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 18.2 ttt -120.03 127.32 52.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 38' ' ' HIS . 7.5 p -77.09 87.41 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.473 -175.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t 69.47 96.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.745 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.02 143.34 16.05 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.24 -173.7 2.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.886 0.343 . . . . 0.0 111.059 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m -66.07 -40.02 90.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.506 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -88.71 160.93 43.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.484 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.49 -177.2 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.19 2.593 . . . . 0.0 113.379 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -69.66 100.98 1.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.059 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.588 ' H ' ' HD3' ' A' ' 37' ' ' PRO . 2.9 t70 -131.64 -64.12 0.8 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.062 170.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.607 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 27.1 t-80 -133.41 40.24 0.56 Allowed Pre-proline 0 CA--C 1.551 1.0 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 172.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.607 ' HD3' ' N ' ' A' ' 36' ' ' HIS . 9.7 Cg_endo -92.29 -95.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.742 1.628 . . . . 0.0 108.372 161.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.598 ' HE1' ' HB2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -174.8 -167.1 0.27 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.133 159.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.7 tt -97.3 151.45 4.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 112.064 -167.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.511 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 37.1 p90 -83.28 139.41 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.007 176.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.7 mt -123.1 114.36 41.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.31 0.576 . . . . 0.0 111.323 -176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -94.39 129.13 41.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.347 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 66.2 mtt -77.19 -40.05 46.61 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.813 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.05 -111.7 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.003 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.6 m -111.23 73.82 0.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.05 0.452 . . . . 0.0 110.68 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 p -142.66 165.04 28.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.528 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -95.93 -41.61 8.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.47 0.652 . . . . 0.0 109.752 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -149.27 137.52 20.75 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.604 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -140.6 133.89 29.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.83 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.498 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 13.4 tt -108.4 156.84 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.1 0.476 . . . . 0.0 110.909 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 43.8 t -94.37 110.2 47.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 172.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -48.29 -43.86 30.71 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.802 2.335 . . . . 0.0 111.661 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.598 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 64.7 m-85 -98.12 87.58 3.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.234 173.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.618 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.7 m 165.7 -52.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.188 0.995 . . . . 0.0 109.958 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.584 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 39.2 m 60.3 84.25 0.13 Allowed 'General case' 0 C--N 1.339 0.116 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 -168.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 m -167.11 60.41 0.08 Allowed 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 -168.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.498 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 1.3 tt -52.88 108.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.597 -170.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.671 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 35.0 m-85 -83.83 101.79 11.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.571 -177.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -93.64 125.31 38.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.05 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.55 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 57.3 t80 -81.28 91.72 6.26 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -94.22 122.9 60.45 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.345 -170.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.61 -14.62 22.1 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.975 2.45 . . . . 0.0 113.487 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -14.15 38.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.981 0.419 . . . . 0.0 110.391 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.9 mt -84.95 -164.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.656 172.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.437 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 12.7 p -140.0 164.49 29.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.612 0.244 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 21' ' ' GLY . 97.3 m-85 -64.13 -24.34 67.65 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.993 -174.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -102.58 18.16 21.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.082 0.467 . . . . 0.0 110.233 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -124.96 142.54 51.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.162 -173.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.412 ' HB ' ' CZ ' ' A' ' 9' ' ' PHE . 9.1 t -108.9 -141.81 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.461 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -100.34 155.67 36.13 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.62 107.0 1.55 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.314 2.009 . . . . 0.0 112.128 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.418 HG21 ' OH ' ' A' ' 15' ' ' TYR . 22.8 m 177.98 -53.31 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.418 1.087 . . . . 0.0 108.734 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.52 44.48 0.47 Allowed Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.179 -174.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.9 m -92.62 120.19 32.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.792 -0.204 . . . . 0.0 110.558 -176.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.48 ' H ' ' HG2' ' A' ' 10' ' ' GLN . 3.3 pp -166.96 134.07 2.43 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.486 ' HB3' ' HD2' ' A' ' 8' ' ' HIS . 46.1 t80 -102.35 93.03 4.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -137.11 110.5 9.16 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.6 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -72.6 125.34 10.52 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.458 2.105 . . . . 0.0 111.608 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -111.82 23.4 13.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.222 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.33 -72.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.781 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 55.82 97.21 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.878 0.736 . . . . 0.0 112.376 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -74.85 -45.18 44.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.018 0.437 . . . . 0.0 109.977 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -102.37 150.72 23.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.445 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -77.01 94.39 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.614 0.721 . . . . 0.0 110.362 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -122.1 113.14 19.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.007 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 87' ' ' HIS . 63.8 m-70 -120.32 -86.86 0.65 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.066 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 86' ' ' HIS . 10.9 p80 . . . . . 0 C--O 1.245 0.832 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.484 1.25 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.66 ' HB3' HG22 ' A' ' 6' ' ' ILE . . . -96.29 98.08 10.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.864 0.364 . . . . 0.0 110.029 176.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -119.22 138.79 52.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.31 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.9 t80 70.82 -60.77 0.5 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.031 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -132.55 144.45 50.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.92 0.391 . . . . 0.0 110.5 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.66 HG22 ' HB3' ' A' ' 2' ' ' ALA . 35.5 pt -120.75 148.12 47.54 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -179.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.58 136.44 58.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.803 2.335 . . . . 0.0 112.098 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.59 121.66 32.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.667 0.746 . . . . 0.0 111.831 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 96.2 m-85 -102.38 -173.97 2.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.632 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -112.27 163.59 14.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.212 0.529 . . . . 0.0 111.009 -172.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -110.51 174.33 5.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.531 -172.095 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -54.3 10.54 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' H ' ' C ' ' A' ' 11' ' ' ASN . 93.6 mt -64.47 -22.54 66.99 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 118.3 0.5 . . . . 0.0 110.499 176.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.88 26.07 1.03 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.873 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.505 ' CD1' HD13 ' A' ' 18' ' ' ILE . 74.6 m-85 -143.48 164.71 29.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' O ' ' HA ' ' A' ' 56' ' ' THR . 21.2 tptm -136.85 -36.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 110.691 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.494 HG22 ' HB3' ' A' ' 57' ' ' LEU . 75.7 mt -135.66 115.88 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.892 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 32.6 mm -122.78 126.96 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -176.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.487 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 40.3 mt-10 -91.36 146.25 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.411 175.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.16 163.97 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.351 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.81 29.38 7.5 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.272 -178.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.6 t -125.41 132.64 70.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -73.31 -27.51 61.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 111.565 -176.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.98 105.61 11.22 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -116.39 153.12 32.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.092 0.472 . . . . 0.0 110.965 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.547 ' SD ' ' HA ' ' A' ' 40' ' ' PHE . 11.1 tpt -147.17 145.09 29.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 9.2 m -70.95 150.74 45.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 175.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.5 m -72.22 155.75 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.078 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -155.92 171.71 33.84 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.232 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.17 28.5 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.822 0.344 . . . . 0.0 110.514 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m 66.18 78.06 0.27 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.882 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -143.01 159.1 57.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.54 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.68 115.98 2.69 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.322 2.015 . . . . 0.0 111.612 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -83.77 33.26 0.47 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -171.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -89.88 -16.85 29.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.745 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.651 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 m-70 -131.81 -59.24 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.651 ' HD2' ' H ' ' A' ' 36' ' ' HIS . 6.5 Cg_endo -48.38 -56.67 2.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.602 2.201 . . . . 0.0 112.919 -174.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.545 ' HB3' ' HB2' ' A' ' 27' ' ' CYS . 90.1 m-70 -149.8 138.94 21.21 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.241 175.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.5 tp -101.31 152.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 O-C-N 123.427 0.454 . . . . 0.0 110.293 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.547 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 6.7 p90 -76.16 145.87 39.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.606 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.31 111.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 111.75 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.99 112.42 24.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.67 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.1 mmt -77.81 -65.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.007 0.432 . . . . 0.0 110.249 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.52 -107.89 1.71 Allowed Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.389 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 p -93.63 -9.19 38.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.83 0.347 . . . . 0.0 111.299 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.578 ' HB ' ' HE2' ' A' ' 49' ' ' LYS . 22.6 m -106.64 110.57 22.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 60' ' ' TYR . 49.7 m-20 -72.77 -41.46 65.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -169.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB2' HD22 ' A' ' 57' ' ' LEU . 16.8 pt-20 -111.14 125.7 54.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.087 0.47 . . . . 0.0 112.047 -173.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.578 ' HE2' ' HB ' ' A' ' 46' ' ' THR . 68.0 mttm -144.88 137.38 26.23 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.367 176.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.527 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 13.7 tt -94.88 161.59 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 41.6 t -99.88 113.66 65.25 Favored Pre-proline 0 N--CA 1.461 0.12 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.233 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -52.46 -32.13 51.37 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.833 2.356 . . . . 0.0 111.815 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -111.93 80.1 1.29 Allowed 'General case' 0 C--O 1.247 0.962 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.348 175.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.558 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 2.3 m 158.15 -54.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 O-C-N 124.848 1.342 . . . . 0.0 110.13 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.533 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 54.1 p 86.43 -151.55 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 -148.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 10.4 m 85.27 71.77 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 167.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.527 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 1.4 tt -59.91 104.37 0.29 Allowed 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.953 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.892 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 65.2 m-85 -83.87 110.91 18.75 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 123.788 0.68 . . . . 0.0 109.59 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.487 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 31.2 mtm180 -104.0 114.95 29.57 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.447 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 83.0 t80 -86.16 93.45 9.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 172.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 11.7 t0 -82.89 125.02 76.27 Favored Pre-proline 0 C--N 1.317 -0.805 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -59.64 -12.91 19.29 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.929 2.419 . . . . 0.0 112.824 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m -82.83 -12.99 57.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.91 0.386 . . . . 0.0 110.485 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.526 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 94.2 mt -87.37 -171.11 3.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.547 ' HB3' HE21 ' A' ' 68' ' ' GLN . 47.9 t -158.61 174.23 15.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -175.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.69 -25.73 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.533 . . . . 0.0 110.671 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -93.82 2.67 56.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.524 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.547 HE21 ' HB3' ' A' ' 65' ' ' SER . 0.8 OUTLIER -123.49 142.67 50.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.145 0.497 . . . . 0.0 111.309 -176.582 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -132.52 -150.1 0.4 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.645 ' ND2' HG21 ' A' ' 18' ' ' ILE . 5.6 p30 -100.33 165.22 14.84 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -175.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 72' ' ' THR . 45.3 Cg_endo -90.99 106.69 0.29 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 122.827 2.352 . . . . 0.0 112.453 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.7 p -169.29 -63.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 109.527 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 133.3 51.61 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.685 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' A' ' 75' ' ' LEU . 77.6 m -78.29 -151.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.487 -0.357 . . . . 0.0 111.723 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 2.7 mt 70.79 110.88 0.06 Allowed 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.988 0.805 . . . . 0.0 111.667 -175.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -85.75 108.69 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.102 0.477 . . . . 0.0 110.669 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -107.06 162.13 20.69 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.193 174.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -70.16 56.41 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.26 2.64 . . . . 0.0 113.488 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 71.52 -68.62 0.21 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.349 0.66 . . . . 0.0 111.715 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.3 mt -114.6 110.07 19.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.644 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.8 -9.68 57.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.208 0.528 . . . . 0.0 110.515 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -144.21 139.21 28.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.02 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -125.4 174.11 8.4 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -86.47 125.48 33.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -88.19 -15.57 35.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.137 0.494 . . . . 0.0 110.379 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -134.65 143.83 47.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.573 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.233 177.443 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 26' ' ' MET . 13.5 pt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.292 0.091 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.33 145.96 53.35 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.262 2.642 . . . . 0.0 113.675 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 26' ' ' MET . 97.8 m-70 -125.13 141.25 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.851 177.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.579 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 74.0 m-85 -115.71 154.91 28.71 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.527 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 9.6 pt20 . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.061 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.497 ' O ' ' HA ' ' A' ' 56' ' ' THR . 11.5 m-30 -82.39 139.87 33.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -69.47 -30.31 68.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.906 -170.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -127.79 110.47 22.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 26.7 mm -105.61 130.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.35 0.595 . . . . 0.0 112.597 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' H ' ' HB3' ' A' ' 70' ' ' ASN . 26.2 mm-40 -91.45 121.55 33.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.839 177.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.46 HG23 HG22 ' A' ' 18' ' ' ILE . 46.4 pt -127.67 148.3 32.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.825 0.345 . . . . 0.0 111.018 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.96 14.31 57.3 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.606 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.7 m -121.79 147.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.7 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 58.1 mttp -101.95 -0.12 34.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.911 0.386 . . . . 0.0 111.06 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -117.03 124.05 48.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 73.4 t80 -146.95 147.17 30.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.261 0.553 . . . . 0.0 111.624 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.594 ' HB2' HD11 ' A' ' 6' ' ' ILE . 13.4 tpt -131.22 116.6 17.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.433 173.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.85 139.63 55.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.443 -175.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.844 179.305 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.504 HG21 ' HD2' ' A' ' 52' ' ' PRO . 9.2 tp -148.15 150.94 13.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.42 175.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.469 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 8.3 p90 -91.19 134.37 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.611 0.243 . . . . 0.0 110.372 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.89 134.2 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.037 0.446 . . . . 0.0 111.524 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -134.03 150.52 51.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.7 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 52.6 mtt -97.49 -70.84 0.71 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.079 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.73 -106.52 1.58 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.11 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.8 m -92.82 -11.6 33.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.182 0.515 . . . . 0.0 110.606 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.1 p -108.24 100.48 9.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.358 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.906 ' HB3' ' HB3' ' A' ' 60' ' ' TYR . 25.2 m-20 -81.79 -1.92 49.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.249 0.547 . . . . 0.0 110.438 -177.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.66 109.05 17.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.295 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -141.41 116.83 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.89 0.376 . . . . 0.0 111.423 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.652 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 14.2 tt -90.23 153.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.807 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 52.5 t -93.68 121.52 64.48 Favored Pre-proline 0 C--N 1.321 -0.644 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.537 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.504 ' HD2' HG21 ' A' ' 39' ' ' ILE . 54.7 Cg_exo -52.82 128.58 29.14 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 122.928 2.418 . . . . 0.0 111.659 176.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 61.09 56.19 2.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.977 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.0 m -157.87 -46.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.248 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.8 m 61.54 85.37 0.12 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.486 0.66 . . . . 0.0 109.353 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 8.4 m -168.88 47.71 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -167.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.652 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 4.2 tt -53.17 107.01 0.19 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.943 -168.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.807 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 74.1 m-85 -79.75 104.37 10.29 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.514 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -107.34 128.4 54.42 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.4 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.906 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . 42.8 t80 -95.45 122.81 38.56 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 13.3 t70 -122.85 133.76 24.65 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.323 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 69.5 Cg_exo -53.32 -26.04 33.25 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 123.342 2.694 . . . . 0.0 113.996 -177.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.4 p -75.53 -17.28 60.13 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.237 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 61' ' ' ASP . 1.8 pp -118.46 144.79 45.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -122.81 -168.75 1.8 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.09 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -61.48 -22.4 65.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.103 0.478 . . . . 0.0 111.431 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -91.51 7.22 42.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.398 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -132.66 176.25 8.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.998 0.428 . . . . 0.0 111.177 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 t -161.92 -148.22 0.14 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.317 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.458 ' HB3' ' H ' ' A' ' 19' ' ' GLU . 3.7 p-10 -100.78 167.97 10.0 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.557 0.218 . . . . 0.0 111.066 -173.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.444 ' O ' ' HB ' ' A' ' 72' ' ' THR . 47.5 Cg_exo -56.88 130.56 40.49 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.631 2.221 . . . . 0.0 111.547 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 51.1 m 76.53 137.74 0.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.858 0.724 . . . . 0.0 110.587 -173.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.41 82.72 0.46 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.988 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.1 m -89.63 13.78 13.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.942 0.401 . . . . 0.0 111.104 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.93 135.44 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.527 ' HD1' ' HB3' ' A' ' 10' ' ' GLN . 62.7 t80 -81.2 124.74 29.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.513 -174.615 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.9 pt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.42 99.65 0.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.374 2.049 . . . . 0.0 111.65 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 119.11 30.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.304 0.573 . . . . 0.0 110.789 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 95.2 m-85 -102.4 173.08 6.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.996 -176.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 1.5 pp0? . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.841 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 119.9 -0.389 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.487 ' HB2' HD11 ' A' ' 18' ' ' ILE . 18.3 m-85 65.9 113.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.311 0.576 . . . . 0.0 111.158 -175.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.91 -50.53 62.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.257 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.0 mt -122.36 110.84 28.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.596 -0.441 . . . . 0.0 109.912 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 15' ' ' TYR . 17.9 mt -108.0 123.64 63.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.398 176.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' HG3' ' HB3' ' A' ' 59' ' ' ARG . 30.6 mp0 -91.29 138.21 31.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.992 0.425 . . . . 0.0 110.778 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.2 pt -137.7 157.14 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.49 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.08 28.17 17.26 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.105 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 t -127.5 142.85 42.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -87.35 -29.57 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.721 0.296 . . . . 0.0 111.69 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' HB3' ' HZ ' ' A' ' 40' ' ' PHE . 30.0 mt-10 -124.79 115.74 21.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.938 0.399 . . . . 0.0 110.803 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.416 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 45.2 t80 -145.03 141.12 28.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.387 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.708 ' HB2' ' HD1' ' A' ' 40' ' ' PHE . 19.6 ttt -125.41 132.27 52.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 78.2 m -61.16 123.82 18.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.167 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.154 175.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 27' ' ' CYS . 9.3 m80 . . . . . 0 CA--C 1.524 -0.025 0 CA-C-O 120.928 0.394 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.412 HG12 ' N ' ' A' ' 40' ' ' PHE . 17.4 tt -128.87 169.79 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.453 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.708 ' HD1' ' HB2' ' A' ' 26' ' ' MET . 92.5 t80 -84.01 125.86 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.44 HG23 ' CD ' ' A' ' 49' ' ' LYS . 3.7 mp -98.81 107.35 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.469 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.28 139.83 46.35 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.467 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 47.3 mtm -111.37 39.23 2.36 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.187 0.517 . . . . 0.0 110.935 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.87 -23.35 57.85 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 p -83.92 -64.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.165 -0.518 . . . . 0.0 110.493 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.8 p -120.93 150.77 40.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.005 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.8 15.59 3.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.221 0.534 . . . . 0.0 111.49 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.516 ' HB2' HD21 ' A' ' 57' ' ' LEU . 10.4 pt-20 -153.48 133.24 13.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.161 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' CD ' HG23 ' A' ' 41' ' ' ILE . 8.3 tttp -143.92 123.8 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.263 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 11.3 tt -84.31 157.52 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 175.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.894 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 48.5 t -104.72 112.0 65.27 Favored Pre-proline 0 C--N 1.33 -0.265 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.63 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 4.4 Cg_endo -47.65 -47.16 18.96 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.065 2.51 . . . . 0.0 111.75 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -101.74 79.51 1.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.26 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.69 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.3 m 164.49 -46.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 O-C-N 124.167 0.917 . . . . 0.0 110.954 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.557 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 19.3 m 77.14 -151.28 0.03 OUTLIER 'General case' 0 C--N 1.341 0.222 0 N-CA-C 104.894 -2.262 . . . . 0.0 104.894 -150.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.469 HG23 ' CG1' ' A' ' 18' ' ' ILE . 28.8 m 83.0 77.96 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 119.083 0.856 . . . . 0.0 109.127 165.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 9.3 tt -66.63 100.32 0.67 Allowed 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.655 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.894 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 73.2 m-85 -69.5 99.69 1.29 Allowed 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 1.5 tpt180 -93.81 114.16 26.35 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.933 -174.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.467 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 69.6 t80 -74.96 110.3 9.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 173.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.513 ' HB3' HD12 ' A' ' 64' ' ' LEU . 14.2 t70 -111.95 123.77 33.8 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.901 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.12 -2.84 12.87 Favored 'Trans proline' 0 CA--C 1.528 0.19 0 C-N-CA 122.604 2.203 . . . . 0.0 113.417 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.0 t -102.83 -9.94 19.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 61' ' ' ASP . 75.0 mt -79.55 -166.19 0.93 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.157 0.503 . . . . 0.0 110.199 175.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -154.06 -176.47 5.87 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -81.85 -11.96 58.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.49 0.662 . . . . 0.0 109.609 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -99.99 -7.51 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.042 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -117.44 162.1 18.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.37 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.3 t -174.5 -141.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.275 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -100.43 145.78 30.88 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 123.316 0.646 . . . . 0.0 110.105 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.413 ' O ' ' HB ' ' A' ' 72' ' ' THR . 89.0 Cg_exo -45.21 168.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 124.459 3.439 . . . . 0.0 115.729 -176.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 84.2 m 76.94 -57.91 0.52 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.433 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.81 74.1 0.26 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.081 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.3 m -88.23 37.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.932 0.396 . . . . 0.0 110.802 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.89 129.91 36.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.881 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.401 ' HA ' ' HG2' ' A' ' 10' ' ' GLN . 77.7 t80 -81.39 97.72 7.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.484 . . . . 0.0 110.168 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.273 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.3 pt . . . . . 0 C--O 1.236 0.362 0 N-CA-C 110.512 -0.181 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.15 141.98 97.3 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.706 2.27 . . . . 0.0 111.803 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.757 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 27.6 m-70 -90.56 117.29 29.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.456 ' HA ' ' H ' ' A' ' 75' ' ' LEU . 88.2 m-85 -102.46 -173.99 2.46 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.064 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.741 ' HG2' ' HB2' ' A' ' 76' ' ' TYR . 36.6 mt-30 . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.2 0 N-CA-C 113.939 0.336 . . . . 0.0 113.939 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.45 ' CE1' ' HA3' ' A' ' 73' ' ' GLY . 7.4 m-85 -121.24 148.26 44.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.214 0.507 . . . . 0.0 111.59 -175.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 55' ' ' SER . 98.0 mttt -108.91 -22.04 12.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.396 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.93 110.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.777 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.5 mt -106.74 125.09 62.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.865 0.84 . . . . 0.0 111.695 175.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -91.25 137.45 32.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.411 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 pt -135.17 153.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.969 0.414 . . . . 0.0 111.289 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.89 12.62 53.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.748 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.3 m -131.36 165.3 31.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -100.3 -14.88 18.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.658 0.266 . . . . 0.0 111.256 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -103.81 112.22 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -142.2 157.42 44.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.573 ' HG2' ' HB3' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -146.98 136.76 23.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -177.848 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.5 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 71.3 m -68.57 98.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -171.867 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.828 ' HE1' ' HB3' ' A' ' 54' ' ' CYS . 81.4 m-70 . . . . . 0 CA--C 1.516 -0.327 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 tp -87.62 152.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 -177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.573 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 27.8 p90 -81.52 149.04 28.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.378 176.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.479 HD11 ' HB2' ' A' ' 51' ' ' CYS . 1.8 mp -106.71 111.5 35.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.416 0.627 . . . . 0.0 111.175 -175.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -107.61 108.1 19.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 170.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.4 ttm -80.86 93.96 6.38 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.932 0.396 . . . . 0.0 110.643 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.14 -100.1 0.93 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.064 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -96.73 31.06 2.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 111.371 -175.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 48' ' ' GLU . 1.9 m -133.64 147.83 51.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -74.49 -17.53 60.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.134 0.492 . . . . 0.0 110.245 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HB2' HD21 ' A' ' 57' ' ' LEU . 9.5 pt-20 -137.08 158.19 45.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.207 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -152.45 140.32 20.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.739 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.809 HD11 ' HA ' ' A' ' 55' ' ' SER . 14.0 tt -128.42 151.35 35.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.199 0.523 . . . . 0.0 111.745 -175.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.479 ' HB2' HD11 ' A' ' 41' ' ' ILE . 41.5 t -93.81 106.42 21.59 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 171.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.8 -16.95 47.41 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.171 2.58 . . . . 0.0 113.112 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -89.35 15.78 8.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.836 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.828 ' HB3' ' HE1' ' A' ' 38' ' ' HIS . 20.8 p -156.6 -39.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.809 ' HA ' HD11 ' A' ' 50' ' ' ILE . 69.7 m 69.28 97.73 0.06 Allowed 'General case' 0 C--N 1.337 0.055 0 O-C-N 123.787 0.679 . . . . 0.0 109.45 -169.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.454 ' HA ' ' C ' ' A' ' 16' ' ' LYS . 8.9 m -158.48 42.95 0.27 Allowed 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 -171.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' A' ' 48' ' ' GLU . 7.7 tt -40.67 116.69 0.73 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.991 -166.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.777 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 87.2 m-85 -91.97 113.09 25.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.985 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -118.63 141.52 48.51 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.798 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -93.46 114.09 26.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.02 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -116.05 130.92 24.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.08 -6.09 13.75 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.042 2.495 . . . . 0.0 113.665 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -81.5 -11.56 59.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.174 0.511 . . . . 0.0 110.471 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.3 mt -92.76 -165.94 1.44 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.536 ' HB3' ' OE1' ' A' ' 68' ' ' GLN . 37.0 t -145.72 166.43 25.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.604 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -80.51 2.95 23.23 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -119.54 5.46 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.23 0.538 . . . . 0.0 109.988 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.536 ' OE1' ' HB3' ' A' ' 65' ' ' SER . 21.5 mp0 -124.31 179.35 4.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.491 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 t -156.93 -118.35 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.897 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -100.66 151.32 37.55 Favored Pre-proline 0 N--CA 1.45 -0.472 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.34 131.21 19.95 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.93 2.42 . . . . 0.0 113.245 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 m 75.35 -59.66 0.53 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.716 173.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.45 ' HA3' ' CE1' ' A' ' 15' ' ' TYR . . . -81.21 55.97 4.84 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.469 -173.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.3 p -150.19 163.85 37.19 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.65 -0.324 . . . . 0.0 110.99 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.757 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 13.2 mt 72.31 103.01 0.07 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 124.257 0.973 . . . . 0.0 112.823 173.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.741 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . 64.3 t80 -116.25 97.16 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.043 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.667 178.578 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.5 pt . . . . . 0 C--O 1.236 0.386 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.34 122.3 11.26 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.653 2.235 . . . . 0.0 112.202 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -95.7 142.1 28.4 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 15.6 m-85 -111.76 165.38 12.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.794 0.33 . . . . 0.0 111.568 -171.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HG2' ' N ' ' A' ' 75' ' ' LEU . 4.0 pt20 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.857 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.852 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.402 ' HA ' HD11 ' A' ' 18' ' ' ILE . 54.3 p90 -143.62 -1.44 1.01 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -72.62 -29.31 63.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.353 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.77 110.5 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.619 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 62.3 mt -125.02 129.25 73.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.194 0.521 . . . . 0.0 111.277 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.544 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 41.4 mt-10 -91.36 150.12 21.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.421 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 37.7 pt -141.19 161.55 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.189 0.518 . . . . 0.0 111.364 -175.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -117.89 24.72 8.77 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.259 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.429 HG12 ' CD2' ' A' ' 66' ' ' TYR . 35.2 m -119.73 157.94 21.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.725 -0.237 . . . . 0.0 110.371 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.51 -26.77 11.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.084 0.469 . . . . 0.0 110.944 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.13 122.5 45.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CE2' ' HB ' ' A' ' 41' ' ' ILE . 32.7 p90 -147.74 165.04 31.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.805 0.336 . . . . 0.0 111.084 -174.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.565 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 21.8 ttt -140.97 126.2 18.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.071 176.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.45 135.53 47.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.096 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.24 0.564 0 CA-C-O 121.413 0.625 . . . . 0.0 112.072 -175.446 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HE1' ' O ' ' A' ' 52' ' ' PRO . 13.9 t-160 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.0 tt -148.3 155.44 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.506 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.565 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 36.5 p90 -103.85 137.38 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.35 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.623 ' HB ' ' CE2' ' A' ' 25' ' ' PHE . 40.5 mt -127.72 148.19 32.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.143 -178.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -113.51 159.9 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.698 0.285 . . . . 0.0 110.257 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.598 ' HG3' ' HE1' ' A' ' 25' ' ' PHE . 51.5 mtt -120.26 39.8 3.62 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.66 -13.23 80.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.472 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -112.82 -61.22 1.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -116.91 151.15 37.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.482 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -90.0 -7.92 52.84 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 50.6 mt-10 -128.81 120.44 26.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.577 177.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -142.37 128.7 19.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.5 tt -87.76 154.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.694 ' HB3' ' O ' ' A' ' 55' ' ' SER . 35.8 t -93.91 123.24 60.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.426 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 36.8 Cg_exo -60.09 153.02 61.21 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.433 2.089 . . . . 0.0 112.276 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 75.96 -16.55 0.59 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 173.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.8 p -153.58 16.96 0.53 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.694 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 68.4 m 62.57 -153.68 0.34 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 55' ' ' SER . 18.4 m 94.93 73.7 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 124.429 1.092 . . . . 0.0 108.793 -176.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 6.5 tt -73.42 99.87 3.08 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.732 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.619 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 91.8 m-85 -75.54 122.34 23.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.97 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.544 ' HD2' ' OE1' ' A' ' 19' ' ' GLU . 38.2 ttm180 -117.26 111.29 19.21 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.589 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 71.5 t80 -81.68 105.43 12.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 9.3 t70 -103.66 128.64 26.94 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 35.8 Cg_exo -61.58 -15.63 42.84 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.268 2.645 . . . . 0.0 113.879 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.9 p -89.25 -6.36 56.87 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.069 0.462 . . . . 0.0 110.493 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 69' ' ' THR . 94.4 mt -92.6 -169.67 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.034 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 45.3 m -152.19 -177.57 6.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.685 0.278 . . . . 0.0 110.776 -178.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.429 ' CD2' HG12 ' A' ' 22' ' ' VAL . 68.8 m-85 -83.74 -20.35 33.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.921 0.391 . . . . 0.0 110.587 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -87.39 -34.44 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.995 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -114.94 116.52 28.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.54 ' O ' HD13 ' A' ' 64' ' ' LEU . 6.6 t -92.8 -55.03 3.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.819 -173.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.885 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 3.1 p-10 -140.43 173.29 5.12 Favored Pre-proline 0 C--N 1.315 -0.922 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -177.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.885 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 11.9 Cg_endo -55.0 145.35 63.81 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.597 2.198 . . . . 0.0 112.383 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 86.7 m 80.7 -20.96 0.35 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.631 0.582 . . . . 0.0 110.844 -177.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.14 -70.71 0.2 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.49 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 92.4 m 55.9 83.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.509 0.671 . . . . 0.0 112.704 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.56 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 3.6 pp -138.48 143.08 39.43 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.338 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -118.23 96.95 5.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.271 0.558 . . . . 0.0 110.202 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.448 179.671 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.7 pt . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -63.35 128.51 22.76 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.574 2.183 . . . . 0.0 111.551 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.573 ' ND1' ' HB3' ' A' ' 76' ' ' TYR . 5.0 p80 -96.34 128.62 43.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.347 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -115.51 166.22 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.283 0.564 . . . . 0.0 112.303 -171.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.919 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 120.184 -0.231 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.48 ' HA ' HD11 ' A' ' 18' ' ' ILE . 59.7 t80 77.99 -31.5 0.16 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.863 0.865 . . . . 0.0 111.515 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -66.41 -44.69 82.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.007 0.432 . . . . 0.0 110.628 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.539 HG23 ' HB3' ' A' ' 57' ' ' LEU . 75.4 mt -132.94 111.84 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.916 176.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 64.9 mt -118.49 123.63 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.22 0.533 . . . . 0.0 112.234 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.721 ' HG3' ' HB2' ' A' ' 59' ' ' ARG . 37.7 mp0 -90.87 131.29 36.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.506 HD12 ' HB ' ' A' ' 22' ' ' VAL . 36.3 pt -136.9 151.15 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -94.18 29.95 8.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.374 174.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.506 ' HB ' HD12 ' A' ' 20' ' ' ILE . 31.0 t -114.29 122.49 68.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.589 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 83.0 tttt -83.99 -13.99 51.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.842 0.353 . . . . 0.0 111.343 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -141.08 109.49 5.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.264 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -134.75 157.98 45.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.641 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -140.52 156.38 46.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.486 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.454 ' N ' ' SD ' ' A' ' 26' ' ' MET . 91.4 m -73.1 123.54 23.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.076 0.465 . . . . 0.0 112.108 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.923 176.749 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 83.9 m-70 . . . . . 0 CA--C 1.518 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 40' ' ' PHE . 11.2 tp -142.55 162.42 18.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.288 -174.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.404 ' N ' HG13 ' A' ' 39' ' ' ILE . 43.7 p90 -91.92 141.85 28.19 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.87 123.03 67.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.703 0.287 . . . . 0.0 110.278 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -121.43 141.94 50.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.899 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.655 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 2.0 mpt? -107.5 33.97 3.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.0 -83.51 0.11 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.085 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.6 m -84.47 -15.35 46.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.906 0.384 . . . . 0.0 110.789 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.542 ' O ' ' HA ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -111.23 114.38 27.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.356 -178.446 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -74.66 -26.35 59.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 8.1 pt-20 -141.29 127.39 19.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.219 0.533 . . . . 0.0 111.292 176.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -130.87 131.32 44.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.872 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.524 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 14.5 tt -88.81 159.66 2.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 173.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.579 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 40.6 t -99.05 114.41 65.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.045 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 7.5 Cg_endo -50.49 -35.04 44.36 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.095 2.53 . . . . 0.0 111.722 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 97.0 m-85 -113.2 84.96 2.09 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.536 173.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.8 m 154.46 -37.78 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.433 1.093 . . . . 0.0 111.232 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.562 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 28.2 m 73.99 -149.18 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 106.085 -1.821 . . . . 0.0 106.085 -153.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 55' ' ' SER . 28.6 m 84.45 79.65 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 172.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.539 ' HB3' HG23 ' A' ' 17' ' ' ILE . 2.9 tt -70.72 99.96 1.79 Allowed 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.125 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 90.3 m-85 -76.66 103.64 6.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.014 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.721 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 82.5 mtt180 -93.89 119.53 32.94 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.352 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.655 ' HB2' ' HG2' ' A' ' 43' ' ' MET . 88.7 t80 -107.14 103.93 13.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.161 0.505 . . . . 0.0 109.811 174.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -108.77 140.79 22.18 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.77 -9.47 9.6 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.914 2.409 . . . . 0.0 113.771 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.4 m -85.15 -15.54 43.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.09 0.472 . . . . 0.0 110.166 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.7 mt -91.25 149.55 21.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.786 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 37.1 t -127.94 174.64 9.01 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -67.97 -12.64 61.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.026 0.441 . . . . 0.0 111.013 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -96.71 -2.95 43.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.273 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.412 ' HB2' ' H ' ' A' ' 65' ' ' SER . 53.0 mt-30 -128.15 160.68 31.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.561 -177.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -170.63 -131.37 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.912 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.53 ' CG ' ' HD2' ' A' ' 71' ' ' PRO . 21.0 t-20 -100.43 153.13 37.92 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 70' ' ' ASN . 65.4 Cg_exo -27.97 136.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 124.786 3.657 . . . . 0.0 114.427 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.9 m -48.12 128.02 13.32 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.94 -172.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.94 35.52 0.89 Allowed Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -169.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.67 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 2.2 p -124.17 -11.1 7.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.797 -0.701 . . . . 0.0 112.15 -173.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -85.94 145.55 27.09 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.033 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.919 ' HA ' ' HG2' ' A' ' 10' ' ' GLN . 76.6 t80 -81.32 100.03 8.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 110.785 -177.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.3 p30 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.1 -0.955 . . . . 0.0 108.857 171.156 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 pt . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.475 0.178 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -52.47 141.54 51.21 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.05 2.5 . . . . 0.0 112.321 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.532 ' HB3' ' HB3' ' A' ' 76' ' ' TYR . 34.7 m170 -92.95 112.17 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.301 0.572 . . . . 0.0 111.211 -176.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.547 ' O ' ' HB2' ' A' ' 76' ' ' TYR . 89.3 m-85 -104.31 -174.04 2.45 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.975 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 120.953 0.406 . . . . 0.0 111.237 -170.9 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.826 -0.11 . . . . 0.0 112.826 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.35 127.1 38.82 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' HA ' ' O ' ' A' ' 55' ' ' SER . 76.6 mttt -81.96 -5.92 58.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -172.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' ' 57' ' ' LEU . 65.4 mt -139.06 110.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 171.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.672 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 30.2 mt -124.92 131.82 72.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.204 0.526 . . . . 0.0 112.222 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -91.41 142.49 27.62 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 69' ' ' THR . 23.9 pt -138.27 158.2 31.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.655 0.264 . . . . 0.0 110.745 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.615 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -96.93 -14.9 41.19 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.141 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 HD12 ' A' ' 20' ' ' ILE . 19.0 m -82.27 142.57 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 0.0 110.643 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HE3' ' HB2' ' A' ' 23' ' ' LYS . 23.2 ttmt -96.99 -6.42 35.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.487 0.661 . . . . 0.0 110.219 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.08 129.59 36.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.743 172.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -148.1 149.99 33.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.286 0.565 . . . . 0.0 111.033 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -146.75 140.34 25.79 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 66.1 m -55.47 119.64 5.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -172.376 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.588 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 14.3 t-160 . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.5 tp -148.41 153.86 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -90.89 138.69 31.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.79 0.329 . . . . 0.0 110.5 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -127.86 128.56 69.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.765 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.76 137.59 43.56 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.7 -63.36 1.36 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.015 0.436 . . . . 0.0 110.636 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.37 -79.07 1.08 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.282 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.4 t -117.14 -41.05 3.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.704 0.287 . . . . 0.0 110.333 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 p -85.83 125.04 32.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.931 0.396 . . . . 0.0 110.752 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -80.7 -18.92 46.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.882 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 122.13 36.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.733 0.778 . . . . 0.0 111.909 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -134.05 -170.65 2.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.68 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 tt -137.92 155.69 30.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.85 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 49.7 t -93.83 105.85 18.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -62.27 133.83 45.53 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.634 2.222 . . . . 0.0 111.452 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 70.01 29.64 3.83 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.505 0.503 . . . . 0.0 110.542 -176.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 13.9 m -147.83 -48.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.398 174.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.698 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 25.2 m 66.91 97.98 0.05 Allowed 'General case' 0 C--N 1.34 0.158 0 O-C-N 123.891 0.744 . . . . 0.0 109.74 -173.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.34 40.45 0.1 Allowed 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -169.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.437 ' HB3' HG23 ' A' ' 17' ' ' ILE . 5.3 tt -33.96 100.05 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.712 1.257 . . . . 0.0 111.66 -168.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.85 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 84.9 m-85 -82.7 106.27 14.42 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.759 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -112.54 114.66 27.42 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.986 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -76.25 109.03 9.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 14.6 t70 -91.02 132.68 33.68 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 37.0 Cg_exo -61.7 -12.29 24.42 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.864 2.376 . . . . 0.0 113.414 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 m -87.76 -9.52 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 110.721 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 90.6 mt -96.73 146.24 25.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.941 0.4 . . . . 0.0 110.877 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.615 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 15.1 m -94.94 167.59 11.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.486 175.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -64.72 -17.64 64.31 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -92.46 -3.48 55.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.237 0.541 . . . . 0.0 110.253 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -109.99 -179.27 3.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.439 0.638 . . . . 0.0 111.78 -174.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 20' ' ' ILE . 7.9 t -168.25 -142.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.779 -175.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.823 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 17.2 p-10 -100.37 -178.93 0.74 Allowed Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 176.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.823 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 80.3 Cg_exo -22.84 107.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 124.038 3.158 . . . . 0.0 113.461 -176.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.7 t -62.69 92.93 0.05 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.442 1.115 . . . . 0.0 112.43 -166.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -166.59 21.25 0.11 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.727 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 37.9 t -114.59 24.04 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.697 . . . . 0.0 109.948 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.35 139.21 37.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.285 177.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.547 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 6.4 t80 -84.65 94.63 8.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.083 0.468 . . . . 0.0 109.867 -178.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.659 178.023 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 27.4 pt . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.58 0.229 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 1.1 Cg_endo -81.93 -175.48 2.57 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 123.34 2.694 . . . . 0.0 113.175 -176.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -90.74 124.53 35.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.017 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.678 ' HZ ' HG21 ' A' ' 18' ' ' ILE . 3.7 t80 -102.18 -174.3 2.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.203 -172.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.496 ' HB2' ' HB2' ' A' ' 74' ' ' CYS . 9.4 mm100 . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.66 0 N-CA-C 111.896 -0.482 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.456 ' HB2' HD11 ' A' ' 18' ' ' ILE . 42.0 m-85 -143.41 136.73 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -177.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 55' ' ' SER . 57.7 mttp -82.17 -9.14 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.3 mt -137.94 110.87 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.678 HG21 ' HZ ' ' A' ' 9' ' ' PHE . 30.0 mm -112.04 130.68 65.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.533 0.682 . . . . 0.0 112.508 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -91.31 137.69 32.16 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 171.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.486 HG23 HG22 ' A' ' 18' ' ' ILE . 21.3 pt -140.1 159.6 26.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 111.832 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.2 21.7 9.99 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.207 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 66' ' ' TYR . 34.1 m -112.82 148.34 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -96.54 -13.08 23.24 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -143.22 131.34 21.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.791 0.329 . . . . 0.0 111.185 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -166.01 136.05 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.41 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.531 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 24.2 ttt -104.09 126.51 51.25 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 38' ' ' HIS . 34.7 t -54.22 120.98 7.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.494 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.626 -179.023 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.63 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 3.7 t-80 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.729 0.3 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.503 ' H ' ' CG ' ' A' ' 38' ' ' HIS . 31.3 mm -87.31 136.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 121.745 -0.597 . . . . 0.0 111.554 -164.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.531 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 36.9 p90 -72.52 134.14 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.238 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.544 HG23 ' HD3' ' A' ' 49' ' ' LYS . 82.3 mt -116.78 87.6 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.988 0.899 . . . . 0.0 110.349 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.72 134.11 34.01 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.642 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.9 mtp -99.08 21.52 11.63 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.542 0.687 . . . . 0.0 110.481 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.06 -2.92 68.32 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 172.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -102.97 -31.74 10.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.271 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.5 153.8 34.19 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.72 -21.97 37.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.322 0.582 . . . . 0.0 110.226 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB3' ' HG3' ' A' ' 59' ' ' ARG . 7.4 pt-20 -134.92 109.03 8.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.433 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HD3' HG23 ' A' ' 41' ' ' ILE . 50.5 tttt -117.49 119.01 33.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.154 0.502 . . . . 0.0 110.451 -175.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 14.1 tt -84.97 153.74 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.841 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.429 ' HB2' HD11 ' A' ' 41' ' ' ILE . 49.4 t -93.53 105.7 17.39 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 50' ' ' ILE . 27.1 Cg_exo -62.3 141.06 86.17 Favored 'Trans proline' 0 CA--C 1.519 -0.228 0 C-N-CA 122.864 2.376 . . . . 0.0 111.549 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 68.26 20.93 8.64 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.593 0.558 . . . . 0.0 110.921 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.617 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 55.9 m -142.12 -53.72 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.966 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.583 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 45.5 m 70.95 101.05 0.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.882 0.738 . . . . 0.0 109.871 -171.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -164.85 32.69 0.06 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -171.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 3.2 tt -36.04 102.97 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.123 -1.398 . . . . 0.0 112.101 -164.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.604 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 95.5 m-85 -84.67 113.71 21.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.299 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 48' ' ' GLU . 12.7 ttp180 -114.22 139.84 49.06 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.916 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -89.95 137.54 32.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.319 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -135.05 132.11 20.13 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.969 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.34 -22.29 74.18 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.344 2.696 . . . . 0.0 113.71 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.0 t -79.59 -16.61 55.55 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.232 0.539 . . . . 0.0 110.252 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.4 mt -90.43 166.24 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.713 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.5 m -151.59 -179.3 7.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -175.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.536 ' CD2' HG12 ' A' ' 22' ' ' VAL . 55.5 m-85 -76.4 -19.37 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -80.54 -4.7 54.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 0.0 111.23 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -144.78 -169.03 3.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.743 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 70' ' ' ASN . 4.6 t -153.08 -66.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.938 176.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.514 ' H ' HG23 ' A' ' 69' ' ' THR . 3.8 p-10 -145.96 166.91 15.52 Favored Pre-proline 0 C--N 1.31 -1.124 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 -170.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.29 119.75 7.0 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.862 2.375 . . . . 0.0 110.752 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.1 m 68.4 82.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -167.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.94 130.1 50.33 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.063 -0.971 . . . . 0.0 113.727 -173.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.496 ' HB2' ' HB2' ' A' ' 10' ' ' GLN . 7.0 p -104.62 91.82 4.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.697 0.76 . . . . 0.0 109.551 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mt -133.09 132.37 41.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.209 -174.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -102.92 94.34 5.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.018 0.437 . . . . 0.0 111.531 -177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 p30 . . . . . 0 C--N 1.319 -0.74 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.522 171.074 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.49 133.38 31.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.19 2.593 . . . . 0.0 112.258 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -90.29 97.58 11.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.796 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 74' ' ' CYS . 45.4 m-85 -111.15 159.05 18.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.552 177.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 74' ' ' CYS . 11.7 pt20 . . . . . 0 C--N 1.323 -0.569 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.47 ' O ' ' HA ' ' A' ' 56' ' ' THR . 33.9 t80 -64.79 140.34 58.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.33 . . . . 0.0 110.255 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -63.22 -41.49 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.371 -168.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.4 mt -127.02 110.67 23.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.7 mt -117.1 123.05 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.724 0.773 . . . . 0.0 112.447 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.666 ' HG2' ' HB3' ' A' ' 59' ' ' ARG . 42.0 mt-10 -91.25 139.44 30.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.884 177.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.484 HD12 HG23 ' A' ' 22' ' ' VAL . 16.1 pt -134.67 155.75 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.755 0.312 . . . . 0.0 111.42 -173.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.95 -10.67 68.96 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.27 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.484 HG23 HD12 ' A' ' 20' ' ' ILE . 19.1 m -95.32 151.73 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 122.728 -0.277 . . . . 0.0 110.364 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HZ1' ' HA2' ' A' ' 44' ' ' GLY . 56.1 tttm -92.89 -58.55 2.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.849 0.357 . . . . 0.0 110.77 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -95.86 122.17 38.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -129.78 161.01 31.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 -171.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 ttt -146.99 135.12 21.56 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.68 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 65.4 m -74.32 126.31 30.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 N--CA 1.465 0.316 0 O-C-N 123.584 0.553 . . . . 0.0 111.449 -179.78 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.68 ' HB3' ' HB2' ' A' ' 27' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 tp -87.84 151.3 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.015 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -73.39 120.74 19.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.894 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.4 mt -98.86 86.27 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.32 0.581 . . . . 0.0 110.526 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.52 131.83 38.39 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.424 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.668 ' HB2' ' O ' ' A' ' 46' ' ' THR . 23.7 ptt? -137.31 58.63 1.7 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.879 0.847 . . . . 0.0 110.058 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.64 ' HA2' ' HZ1' ' A' ' 23' ' ' LYS . . . -67.64 -25.39 73.98 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.888 175.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 p -78.42 -77.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.045 0.45 . . . . 0.0 111.111 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.668 ' O ' ' HB2' ' A' ' 43' ' ' MET . 23.6 m -98.57 131.99 44.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.822 178.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.416 ' OD1' ' HE2' ' A' ' 23' ' ' LYS . 10.5 m-20 -80.65 13.54 2.51 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.238 0.542 . . . . 0.0 111.506 -175.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' H ' HG22 ' A' ' 46' ' ' THR . 41.4 mt-10 -133.39 109.16 9.14 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 176.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -143.07 153.42 42.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 110.481 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.817 HD11 ' HA ' ' A' ' 55' ' ' SER . 14.2 tt -116.2 156.83 17.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.493 -176.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.584 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 34.4 t -93.33 105.68 16.83 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 172.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.03 -55.74 2.63 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.903 3.069 . . . . 0.0 113.418 -170.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -90.72 56.58 3.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.433 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 16.4 m -157.98 -51.68 0.07 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.74 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.817 ' HA ' HD11 ' A' ' 50' ' ' ILE . 14.3 t 65.45 89.43 0.1 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -168.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 11.6 m -169.01 56.38 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 -166.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.5 tp -51.01 106.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.543 -170.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 89.8 m-85 -81.23 116.94 21.35 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.1 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.666 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . 20.0 ttt180 -114.37 114.93 26.55 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.734 -174.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -107.15 108.16 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.097 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 16.0 t70 -129.41 138.99 34.36 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.781 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 76.9 Cg_exo -52.32 -18.9 8.53 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.632 2.888 . . . . 0.0 114.683 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -74.64 -22.66 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.946 0.403 . . . . 0.0 110.735 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 19' ' ' GLU . 74.6 mt -80.85 131.82 35.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.769 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -84.03 157.48 21.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -68.61 -29.86 68.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -85.1 6.25 26.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.668 175.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -118.17 163.15 17.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.655 HG21 ' SG ' ' A' ' 74' ' ' CYS . 11.0 t -161.01 -143.44 0.09 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.743 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.405 ' HB3' HG23 ' A' ' 18' ' ' ILE . 8.9 t30 -100.4 140.12 21.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -175.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.63 127.99 26.5 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.175 2.583 . . . . 0.0 112.745 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 p 51.5 81.14 0.08 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.182 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.94 -170.54 42.39 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.236 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.655 ' SG ' HG21 ' A' ' 69' ' ' THR . 14.5 p 50.91 -160.51 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.365 1.066 . . . . 0.0 111.658 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.6 OUTLIER 68.86 89.48 0.1 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.452 173.373 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -81.24 128.31 33.66 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.11 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.18 178.561 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 18.9 pt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.396 0.141 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 52.4 Cg_exo -53.3 125.2 17.68 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.079 2.52 . . . . 0.0 112.403 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -94.38 136.77 34.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.949 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -121.65 147.95 45.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.596 0.236 . . . . 0.0 110.976 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.669 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 10.9 pt20 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.518 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -85.14 153.12 22.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 10.2 tppt? -91.87 -37.89 12.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.931 0.395 . . . . 0.0 111.297 -175.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 57' ' ' LEU . 76.1 mt -129.75 110.7 20.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.73 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 15.9 mt -103.47 118.62 50.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.688 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -93.33 139.68 30.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.551 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.1 pt -138.45 155.08 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.656 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -90.93 -6.54 67.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.448 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 24' ' ' GLU . 9.3 p -104.57 143.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 50.5 mtpt -96.79 -1.77 45.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 0.0 111.932 -173.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' H ' HG22 ' A' ' 22' ' ' VAL . 6.5 mp0 -128.1 110.89 12.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.211 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 87.5 t80 -154.18 136.9 15.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.221 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.474 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 26.7 ttt -101.6 137.11 40.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.665 0.269 . . . . 0.0 110.3 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.612 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 8.4 t -64.72 120.16 11.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.027 176.734 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 8.4 m-70 . . . . . 0 C--O 1.226 -0.158 0 CA-C-O 121.368 0.604 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.465 ' H ' ' HB3' ' A' ' 38' ' ' HIS . 25.4 mm -102.38 146.21 10.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.194 -175.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.474 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 29.6 p90 -89.39 145.94 25.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.168 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.582 ' HB ' ' O ' ' A' ' 25' ' ' PHE . 2.0 mp -114.55 111.92 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.295 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -115.89 115.69 26.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.267 173.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.644 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 66.2 mtt -85.38 67.07 10.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.277 0.561 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.26 -50.7 3.35 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.724 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -80.08 -57.7 3.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.936 0.398 . . . . 0.0 111.06 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.3 p -107.26 175.2 5.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.985 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -100.41 4.89 44.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 109.315 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -134.17 130.82 37.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.318 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HB2' HG23 ' A' ' 41' ' ' ILE . 56.7 mmtt -138.93 156.94 46.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.817 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 tt -132.55 150.34 33.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.225 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' A' ' 53' ' ' TYR . 16.6 t -93.64 112.29 56.15 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -49.67 -45.11 33.0 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.731 2.287 . . . . 0.0 111.098 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.529 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 55.9 m-85 -91.52 78.04 5.66 Favored 'General case' 0 C--O 1.252 1.209 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.786 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.529 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 5.3 m 159.84 -44.22 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.974 1.422 . . . . 0.0 112.059 172.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.8 p 51.13 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.87 0.843 . . . . 0.0 109.897 -165.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.529 ' OG1' ' HB3' ' A' ' 54' ' ' CYS . 3.4 m -158.55 46.12 0.31 Allowed 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 -169.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.403 ' HB3' HG23 ' A' ' 17' ' ' ILE . 5.3 tt -41.78 112.84 0.36 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.365 -164.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.73 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 83.7 m-85 -83.85 105.95 15.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.35 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -115.99 129.12 56.23 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.001 -174.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -92.82 131.56 37.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.929 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 20.6 t70 -124.4 137.13 28.67 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 36.5 Cg_exo -61.16 -8.71 10.68 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 122.956 2.438 . . . . 0.0 113.934 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -88.59 -17.36 30.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.251 0.548 . . . . 0.0 109.768 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.2 mt -92.32 122.62 34.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.914 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.467 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 15.5 m -82.91 170.6 14.77 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 174.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -64.38 -23.96 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.081 0.467 . . . . 0.0 111.212 -175.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -87.59 -2.3 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.342 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -106.79 168.86 8.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.149 0.499 . . . . 0.0 111.283 -174.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -161.3 -150.05 0.19 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.836 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.895 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 24.5 p-10 -100.69 174.6 2.85 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-O 119.236 -0.411 . . . . 0.0 110.126 -177.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.895 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 5.9 Cg_exo -37.52 150.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 124.751 3.634 . . . . 0.0 115.304 -177.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 m -59.43 141.51 54.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.657 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 137.14 -14.09 3.79 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 -176.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.422 ' HB2' ' H ' ' A' ' 75' ' ' LEU . 6.1 p -100.07 -147.8 0.35 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.681 -0.76 . . . . 0.0 110.405 177.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' H ' ' HB2' ' A' ' 74' ' ' CYS . 2.7 mm? 67.82 96.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.401 0.619 . . . . 0.0 110.79 -173.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.669 ' HD1' ' HB3' ' A' ' 10' ' ' GLN . 49.9 t80 -85.66 89.08 7.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.775 -174.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 171.318 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 26.8 pt . . . . . 0 C--O 1.234 0.285 0 CA-C-O 121.115 0.483 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 21.2 Cg_exo -65.59 128.61 20.48 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.099 2.532 . . . . 0.0 113.269 -175.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -92.51 159.79 15.35 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -123.6 146.66 48.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.417 0.627 . . . . 0.0 112.138 -173.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.544 ' HG2' ' H ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.638 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.642 0 N-CA-C 112.614 -0.194 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.434 ' HB2' HD11 ' A' ' 18' ' ' ILE . 91.1 m-85 -140.81 121.14 13.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -80.68 -25.82 37.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.437 -175.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 57' ' ' LEU . 72.8 mt -134.55 110.69 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.829 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 24.8 mt -116.43 129.92 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.523 0.678 . . . . 0.0 111.875 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.65 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 40.0 mt-10 -91.33 151.41 20.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.956 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 pt -145.05 153.64 14.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.37 . . . . 0.0 111.05 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.99 36.37 4.41 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.191 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.1 m -134.44 147.69 29.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.587 0.232 . . . . 0.0 110.464 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -95.2 -21.57 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 110.584 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -126.09 120.85 31.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.945 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.54 173.23 16.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.95 0.405 . . . . 0.0 110.494 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.574 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 22.7 ttt -140.66 144.34 35.63 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 38' ' ' HIS . 52.7 t -61.92 149.9 39.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 C--O 1.236 0.371 0 O-C-N 123.729 0.643 . . . . 0.0 112.541 -172.385 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.559 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 22.4 m170 . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.912 0.387 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.428 ' H ' ' HB3' ' A' ' 38' ' ' HIS . 16.8 tt -102.36 160.53 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.762 -169.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.574 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 49.5 t80 -84.3 140.9 31.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.918 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 51' ' ' CYS . 72.3 mt -127.64 127.42 68.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 0.0 111.058 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 3.3 p30 -99.93 152.84 19.7 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.6 tpp -111.93 20.86 16.56 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.462 0.649 . . . . 0.0 109.397 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.86 58.56 1.8 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.428 -176.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 t -163.89 -83.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 p -86.95 171.46 10.76 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -81.58 -31.06 32.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.938 0.399 . . . . 0.0 110.521 -175.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -125.08 136.07 53.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 42' ' ' ASP . 31.4 mmtp -125.65 139.29 53.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.055 178.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.9 tt -102.4 162.9 3.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.668 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 5.5 t -93.94 117.92 67.24 Favored Pre-proline 0 CA--C 1.511 -0.537 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.72 110.99 0.6 Allowed 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 121.952 1.768 . . . . 0.0 109.348 168.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.453 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 61.5 m-85 69.9 92.12 0.09 Allowed 'General case' 0 C--O 1.247 0.973 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.145 -175.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 2.6 m 159.35 -51.51 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.326 1.45 . . . . 0.0 110.623 173.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 m 63.94 94.27 0.05 Allowed 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.812 0.695 . . . . 0.0 109.33 -169.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 m -159.36 32.79 0.2 Allowed 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 -168.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.442 ' HB3' HG12 ' A' ' 17' ' ' ILE . 48.2 tp -25.67 107.31 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.702 -1.59 . . . . 0.0 112.787 -170.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.829 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 93.1 m-85 -86.81 130.74 34.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.713 -174.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.65 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 6.7 mtt85 -117.71 139.26 51.28 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.649 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -117.17 138.21 51.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.95 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 14.0 t70 -141.1 139.48 19.36 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -57.04 -26.94 71.38 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 123.043 2.496 . . . . 0.0 113.321 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.5 m -80.47 -11.02 59.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 97.3 mt -87.44 104.28 16.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 109.867 177.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -77.11 171.04 15.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.399 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -56.84 -32.74 66.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.959 0.409 . . . . 0.0 111.178 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -90.31 9.29 29.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.4 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -128.99 116.81 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.767 0.318 . . . . 0.0 110.165 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.601 HG23 ' H ' ' A' ' 70' ' ' ASN . 4.5 t -106.02 -67.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.702 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.601 ' H ' HG23 ' A' ' 69' ' ' THR . 30.4 p-10 -151.76 153.59 31.96 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-O 120.964 0.412 . . . . 0.0 110.312 -171.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 11.1 Cg_endo -90.47 107.22 0.34 Allowed 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.928 2.418 . . . . 0.0 111.778 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER 166.4 -67.39 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.606 1.162 . . . . 0.0 109.24 179.09 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.79 102.92 0.7 Allowed Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.765 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.5 m -135.03 -94.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.905 -0.174 . . . . 0.0 110.734 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' GLN . 9.4 mt 61.58 -166.65 0.21 Allowed 'General case' 0 C--O 1.204 -1.325 0 C-N-CA 122.756 0.422 . . . . 0.0 110.261 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -107.25 82.49 1.68 Allowed 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 166.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.544 ' H ' ' HG2' ' A' ' 10' ' ' GLN . 4.7 t-20 . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.306 -171.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.417 HG21 ' HA ' ' A' ' 25' ' ' PHE . 48.7 mm . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.75 123.93 6.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.518 2.812 . . . . 0.0 112.767 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -114.41 127.87 56.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.932 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.476 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 42.1 p90 -102.27 -175.34 2.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.709 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.622 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 12.0 pt20 . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 120.878 0.371 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.13 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -102.94 132.11 49.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.571 -0.37 . . . . 0.0 110.602 -176.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HG2' ' H ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -160.1 -52.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.26 0.552 . . . . 0.0 110.462 174.712 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 57' ' ' LEU . 70.7 mt -141.89 110.59 2.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.809 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 41.1 mt -123.23 127.82 74.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 119.614 -0.834 . . . . 0.0 112.163 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.679 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 35.2 mt-10 -91.52 154.32 19.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.757 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 69' ' ' THR . 15.1 pt -146.73 163.44 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.179 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.23 16.8 38.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.412 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.34 167.26 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 122.759 -0.259 . . . . 0.0 110.727 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 58.1 mttp -106.48 4.15 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.233 0.54 . . . . 0.0 110.603 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -127.37 127.71 44.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.418 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CE2' ' HB ' ' A' ' 41' ' ' ILE . 43.9 p90 -156.95 166.27 33.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.258 0.551 . . . . 0.0 111.685 -175.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.2 ttt -143.72 146.02 32.86 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 38' ' ' HIS . 75.0 m -50.86 118.5 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.9 t . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 167.103 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 24.9 m170 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.79 0.328 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.05 149.89 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.85 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -82.54 130.26 35.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.581 ' HB ' ' CE2' ' A' ' 25' ' ' PHE . 58.6 mt -119.07 127.64 75.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.988 0.423 . . . . 0.0 111.345 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -94.82 144.12 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.217 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.447 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 41.9 mtt -81.55 88.68 6.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.968 0.413 . . . . 0.0 111.75 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.96 43.48 3.23 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 170.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.8 m -143.51 -175.31 4.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.416 -0.392 . . . . 0.0 109.962 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.6 p -77.23 -75.33 0.21 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -137.64 6.19 2.7 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.079 -175.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HB2' HD21 ' A' ' 57' ' ' LEU . 11.2 pt-20 -148.97 140.16 23.11 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.62 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -158.23 132.95 8.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.311 174.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.497 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 14.2 tt -111.43 151.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.853 0.358 . . . . 0.0 110.961 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 53' ' ' TYR . 27.0 t -93.64 110.7 48.8 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.8 -45.71 38.76 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.83 2.353 . . . . 0.0 110.82 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.458 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 66.0 m-85 -79.42 71.54 5.99 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.146 172.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 53' ' ' TYR . 1.4 m 171.99 -63.28 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.536 0.734 . . . . 0.0 111.845 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.438 ' HA ' HD11 ' A' ' 50' ' ' ILE . 22.7 t 68.86 88.8 0.11 Allowed 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 -160.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.0 m -173.61 63.72 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 -165.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' HB3' HG23 ' A' ' 17' ' ' ILE . 2.5 tt -59.92 106.61 0.51 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.642 -173.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.809 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 67.2 m-85 -80.05 107.28 12.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 123.662 0.602 . . . . 0.0 110.266 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.679 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 79.7 mtt-85 -101.44 123.17 45.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.047 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 20' ' ' ILE . 17.8 t80 -104.12 101.97 11.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.394 174.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 13.4 t70 -94.6 137.99 22.4 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.008 -177.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.95 -23.18 50.16 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.857 2.371 . . . . 0.0 113.349 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -76.08 -27.44 57.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.202 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 96.1 mt -76.4 141.9 41.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.27 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -98.29 163.0 12.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.574 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -72.29 -2.92 20.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.07 -174.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -102.89 0.12 31.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.596 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.33 170.33 10.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.0 0.428 . . . . 0.0 110.33 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 70' ' ' ASN . 1.5 t -128.92 -70.65 0.66 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.9 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 9.4 p30 -144.16 171.55 6.63 Favored Pre-proline 0 C--N 1.307 -1.259 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -174.223 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.9 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 25.8 Cg_endo -61.43 175.76 1.44 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.152 2.568 . . . . 0.0 113.62 -174.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.6 m 76.19 -67.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.273 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.7 48.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.151 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.604 ' HB3' ' O ' ' A' ' 10' ' ' GLN . 56.5 m -79.65 85.29 5.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.795 0.331 . . . . 0.0 110.733 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -131.33 120.22 22.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.622 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 24.0 t80 -92.01 114.66 27.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.232 0.539 . . . . 0.0 111.344 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.037 174.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.3 pt . . . . . 0 C--O 1.239 0.502 0 CA-C-O 120.639 0.257 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.34 130.63 29.53 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.389 2.726 . . . . 0.0 113.099 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -122.48 143.4 49.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.941 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -120.77 -174.54 2.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.261 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 1.6 pp0? . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.7 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 68.71 86.73 0.13 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -79.48 6.21 10.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -168.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.4 mt -140.5 110.42 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 170.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 32.2 mt -107.84 131.12 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.435 ' HB3' HD11 ' A' ' 64' ' ' LEU . 42.2 mt-10 -95.31 126.62 40.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.182 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.475 HG23 HG22 ' A' ' 18' ' ' ILE . 16.7 pt -143.68 166.73 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.051 0.453 . . . . 0.0 111.918 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.52 23.85 8.81 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.723 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.74 168.48 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -118.39 -50.75 2.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -100.68 125.75 47.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.112 0.482 . . . . 0.0 110.644 -178.803 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -166.99 -172.41 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.892 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.4 ttt -130.88 127.54 38.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.901 0.381 . . . . 0.0 110.528 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.94 137.17 58.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.355 175.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.9 t . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.731 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.0 mm -132.14 133.4 60.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 -171.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.27 120.23 18.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.779 0.323 . . . . 0.0 110.38 176.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm -115.36 134.85 57.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.745 0.307 . . . . 0.0 110.188 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.71 153.74 51.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.482 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.413 ' HE1' HD11 ' A' ' 20' ' ' ILE . 61.1 mtt -129.04 118.56 22.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.757 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.04 -60.41 0.48 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.8 175.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.9 p -121.73 8.74 10.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.0 110.988 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.608 HG21 ' HE3' ' A' ' 49' ' ' LYS . 23.6 p -97.9 132.2 43.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.46 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.11 -30.88 49.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.688 0.756 . . . . 0.0 109.393 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HB2' HD21 ' A' ' 57' ' ' LEU . 9.6 pt-20 -134.14 127.93 33.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.559 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HE3' HG21 ' A' ' 46' ' ' THR . 15.2 mmtp -120.06 110.42 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.328 175.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.8 tt -92.04 156.5 3.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 54' ' ' CYS . 46.1 t -93.95 100.96 5.37 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 10.2 Cg_endo -52.94 -38.46 79.44 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.244 2.629 . . . . 0.0 111.57 -174.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -96.23 71.76 2.82 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.824 174.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 1.2 m 165.71 -60.25 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.82 0.848 . . . . 0.0 111.745 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 72.5 m 71.0 104.47 0.06 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.733 -160.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.466 ' OG1' ' HB3' ' A' ' 54' ' ' CYS . 1.1 m -165.6 33.0 0.05 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 -171.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 6.5 tt -36.24 101.79 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 113.581 -1.645 . . . . 0.0 112.257 -164.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.615 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 33.2 m-85 -86.78 105.02 16.7 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.075 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -104.64 129.07 52.83 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.723 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -91.2 94.68 9.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.38 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.547 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 14.5 t70 -93.96 136.82 23.37 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.041 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.45 -19.23 63.58 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.017 2.478 . . . . 0.0 113.254 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 t -84.64 -12.94 52.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 0.0 110.216 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.547 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 82.4 mt -88.5 173.56 8.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.5 m -150.95 -169.89 3.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.888 0.375 . . . . 0.0 111.173 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -82.95 -35.42 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.746 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -81.72 -33.57 31.04 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.079 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -111.86 122.69 48.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.606 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 70' ' ' ASN . 5.1 t -117.74 -120.22 0.31 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.744 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.608 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 7.6 p30 -100.35 164.06 17.03 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.465 0.306 . . . . 0.0 110.325 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.608 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 20.2 Cg_endo -60.94 164.29 14.42 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.169 2.58 . . . . 0.0 112.406 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.6 m 72.03 -68.35 0.22 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.365 -175.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 134.57 59.11 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.636 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.484 ' HB3' HD21 ' A' ' 70' ' ' ASN . 52.4 t -76.14 85.32 2.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.245 0.545 . . . . 0.0 109.837 176.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 3.0 pp -152.36 147.53 26.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.466 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -86.2 94.08 9.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.086 0.469 . . . . 0.0 110.931 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.6 t30 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.458 176.471 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 pt . . . . . 0 C--O 1.236 0.347 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.476 ' HG2' HG21 ' A' ' 22' ' ' VAL . 74.9 Cg_exo -50.93 108.7 0.25 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.323 2.682 . . . . 0.0 113.147 -176.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -100.91 115.87 31.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.637 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.498 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 40.0 m-85 -102.26 177.14 4.96 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.966 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.165 -172.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.352 0 N-CA-C 112.928 -0.069 . . . . 0.0 112.928 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.612 ' HB3' HD11 ' A' ' 18' ' ' ILE . 2.8 t80 -86.0 121.71 29.01 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.783 ' HG3' ' HB3' ' A' ' 55' ' ' SER . 3.7 ttmp? -74.34 -33.45 63.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -166.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.7 mt -132.65 111.49 17.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.314 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.667 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 28.6 mm -109.11 124.01 65.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.628 ' HG3' ' HB3' ' A' ' 59' ' ' ARG . 10.7 mp0 -91.54 135.85 33.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 170.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.457 HG23 HG22 ' A' ' 18' ' ' ILE . 14.6 pt -144.43 163.85 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.709 0.29 . . . . 0.0 111.066 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.89 11.49 49.23 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.232 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG21 ' HG2' ' A' ' 7' ' ' PRO . 35.8 t -120.34 143.72 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 60.5 mttp -93.16 -24.24 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.664 0.268 . . . . 0.0 111.455 -176.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.69 116.26 31.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.082 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.498 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 63.5 t80 -140.02 145.6 37.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.016 0.436 . . . . 0.0 110.801 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.485 ' HG2' ' HB3' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -126.57 116.61 21.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 175.416 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 27.2 t -80.53 107.98 13.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.139 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.976 178.254 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 27' ' ' CYS . 7.1 t60 . . . . . 0 C--O 1.225 -0.186 0 CA-C-O 120.627 0.251 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.546 HG21 ' HD2' ' A' ' 52' ' ' PRO . 33.0 mm -146.63 137.55 18.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -171.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.485 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 37.5 p90 -95.91 144.12 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.445 HG23 ' HD3' ' A' ' 49' ' ' LYS . 2.9 mp -120.92 117.69 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.1 0.476 . . . . 0.0 110.143 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -113.39 130.56 56.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.908 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.657 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 65.3 mtt -88.7 90.26 8.33 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.898 0.38 . . . . 0.0 110.552 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.6 -71.1 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.225 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 p -89.55 -5.46 57.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.874 0.369 . . . . 0.0 111.262 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -137.44 151.42 48.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.13 2.28 48.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.331 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 7.9 pt-20 -148.46 119.25 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.57 174.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.445 ' HD3' HG23 ' A' ' 41' ' ' ILE . 71.0 tttt -133.3 138.57 46.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.919 -173.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 13.8 tt -92.91 156.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.546 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 54.0 t -93.66 108.04 31.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.546 ' HD2' HG21 ' A' ' 39' ' ' ILE . 50.1 Cg_exo -53.45 132.54 49.16 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.172 2.581 . . . . 0.0 112.397 -177.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 55.4 59.8 3.72 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.398 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 t -169.9 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.979 -173.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.783 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 47.9 m 64.59 97.48 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 O-C-N 123.88 0.737 . . . . 0.0 109.412 -172.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -166.72 35.34 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -170.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 4.5 tt -49.56 113.37 0.81 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.506 -166.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.667 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 69.2 m-85 -86.73 110.61 20.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.667 -174.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.628 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 42.5 ttm-85 -99.99 126.61 46.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.091 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.657 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 65.3 t80 -97.92 134.17 41.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.197 0.522 . . . . 0.0 111.224 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' A' ' 63' ' ' SER . 9.4 t0 -140.71 122.56 9.43 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.347 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.95 -15.33 32.42 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.035 2.49 . . . . 0.0 112.874 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.432 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 37.0 m -82.88 -7.48 59.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 111.034 178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.34 129.07 37.37 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -80.63 160.77 24.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.809 0.338 . . . . 0.0 110.684 -178.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -66.51 -18.35 65.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.096 0.474 . . . . 0.0 110.64 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -90.64 5.89 46.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.683 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -129.83 143.01 50.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.182 0.515 . . . . 0.0 111.478 -174.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -116.93 -138.5 0.36 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.81 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 26.2 p-10 -100.45 -174.17 0.34 Allowed Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.81 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 75.5 Cg_exo -39.34 110.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.26 0 C-N-CA 122.253 1.969 . . . . 0.0 111.537 174.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 m -50.4 98.03 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.17 -165.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.2 14.43 0.85 Allowed Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 114.832 -1.077 . . . . 0.0 110.531 173.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.7 m -152.24 77.66 1.2 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.185 -0.507 . . . . 0.0 109.82 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.02 115.61 11.31 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.434 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 81.7 t80 -110.51 96.66 6.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.225 0.536 . . . . 0.0 111.221 -177.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.6 t30 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.368 172.704 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.2 mm . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.599 0.237 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -80.79 -178.29 4.31 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.786 2.324 . . . . 0.0 112.642 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 76' ' ' TYR . 37.7 m80 -116.0 138.14 51.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.268 0.556 . . . . 0.0 110.906 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -114.98 -173.9 2.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.785 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.368 -175.011 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -120.05 104.72 10.37 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -92.69 -3.27 55.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.434 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.5 mt -140.12 110.62 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.809 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 48.1 mm -107.05 124.39 62.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.217 0.532 . . . . 0.0 111.443 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.674 ' HG2' ' HB3' ' A' ' 59' ' ' ARG . 77.5 mt-10 -100.26 136.19 40.53 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.5 pt -150.05 157.89 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 123.036 0.21 . . . . 0.0 110.74 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.79 34.73 5.54 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.053 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.0 t -122.83 148.19 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 57.0 mttm -91.68 -39.21 11.97 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.74 0.305 . . . . 0.0 110.639 -178.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -111.74 127.85 55.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.43 ' HE1' ' SD ' ' A' ' 43' ' ' MET . 50.9 p90 -159.81 -177.56 6.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.98 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.572 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 26.2 ttt -133.11 134.91 44.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.872 0.367 . . . . 0.0 110.357 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.5 t -74.25 134.04 42.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.305 179.387 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.1 tt -148.2 155.42 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 37.4 p90 -77.47 134.33 38.37 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.245 0.341 . . . . 0.0 110.616 177.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 61.1 mt -127.97 140.38 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.54 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 5.2 p-10 -134.5 143.06 47.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.0 111.28 179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.513 ' CE ' ' HB3' ' A' ' 49' ' ' LYS . 2.0 mpt? -107.67 125.12 50.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.126 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.09 -77.48 1.05 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.517 170.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -127.82 79.41 1.89 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 173.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 m -137.48 125.59 22.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.365 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.08 -36.81 72.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.127 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HB2' HD21 ' A' ' 57' ' ' LEU . 12.4 pt-20 -156.67 127.84 6.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.943 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.513 ' HB3' ' CE ' ' A' ' 43' ' ' MET . 52.4 tttp -127.43 124.02 37.46 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -176.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 11.3 tt -88.66 154.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.015 0.436 . . . . 0.0 111.453 -173.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.558 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 53.3 t -96.36 103.23 13.29 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 8.7 Cg_endo -50.04 -62.88 0.34 Allowed 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 123.739 2.959 . . . . 0.0 113.825 -171.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -80.69 35.36 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 88.9 m -155.51 -47.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 m 69.66 95.53 0.07 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -164.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.453 HG22 HG12 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -158.32 33.68 0.24 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 -171.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 2.6 tt -37.83 107.92 0.07 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 113.688 -1.596 . . . . 0.0 112.235 -163.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.809 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 94.6 m-85 -85.37 105.84 16.31 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.391 -176.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.674 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . 19.7 ttt180 -94.05 113.92 25.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.383 -177.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -103.7 92.72 4.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.875 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -106.51 138.42 19.73 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.109 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.13 -20.75 14.83 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 123.439 2.76 . . . . 0.0 113.877 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.5 m -73.7 -14.55 61.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.004 0.43 . . . . 0.0 110.604 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.36 -178.53 4.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.954 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.436 ' H ' ' HB2' ' A' ' 68' ' ' GLN . 70.5 m -159.08 -178.1 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.589 -176.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -61.93 -44.16 97.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.879 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -87.78 -1.16 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.348 0.595 . . . . 0.0 110.689 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.436 ' HB2' ' H ' ' A' ' 65' ' ' SER . 76.5 mt-30 -104.92 116.58 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 t -100.08 -131.44 0.24 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.864 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.536 HD22 ' C ' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -100.66 163.81 17.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 122.314 -0.241 . . . . 0.0 110.926 -174.651 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 74.6 Cg_exo -49.13 126.12 14.74 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.142 2.561 . . . . 0.0 111.659 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 87.7 m 67.94 105.62 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 O-C-N 123.582 0.552 . . . . 0.0 109.759 -170.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.08 97.25 0.1 Allowed Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 113.166 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.64 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 41.4 m -92.0 -94.52 0.14 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER 47.13 -175.36 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.309 1.006 . . . . 0.0 112.221 -177.58 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.517 ' HB3' ' HB3' ' A' ' 8' ' ' HIS . 28.5 t80 -113.05 96.71 6.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.133 0.492 . . . . 0.0 110.302 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.371 179.504 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.9 pt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.47 126.11 19.79 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.489 2.126 . . . . 0.0 112.66 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -90.68 127.3 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.356 174.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -106.86 172.62 6.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -170.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 3.8 pt20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.946 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 120.256 -0.191 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 68.78 -176.32 0.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.195 0.598 . . . . 0.0 110.65 -176.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' HA ' ' A' ' 56' ' ' THR . 59.2 mttm -128.52 10.49 6.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.37 0.605 . . . . 0.0 110.378 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.7 mt -147.58 110.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.587 173.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.736 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 94.1 mt -107.95 129.46 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.899 175.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.98 137.02 32.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.756 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 13.9 pt -137.46 148.68 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.896 0.379 . . . . 0.0 111.2 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.44 23.23 33.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.206 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.8 m -136.23 146.65 28.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -95.82 6.97 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.998 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -131.74 118.38 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.085 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.644 ' HD1' HD12 ' A' ' 41' ' ' ILE . 52.8 t80 -141.06 157.62 45.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.362 -172.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 23.8 ttt -147.11 150.87 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 169.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.9 m -57.44 -49.54 75.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.587 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.5 t . . . . . 0 N--CA 1.472 0.625 0 C-N-CA 122.96 0.504 . . . . 0.0 110.22 -172.057 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 53' ' ' TYR . 12.8 t-80 . . . . . 0 C--O 1.224 -0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 112.083 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 26' ' ' MET . 22.6 mm -144.66 137.08 21.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.934 -169.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -81.68 130.71 35.15 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.644 HD12 ' HD1' ' A' ' 25' ' ' PHE . 25.0 mt -124.23 85.41 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.857 0.36 . . . . 0.0 111.003 -173.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -107.0 135.59 48.3 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -83.73 -56.7 3.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.435 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.99 -91.31 0.15 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.585 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.3 m -72.88 -34.83 66.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.716 0.293 . . . . 0.0 111.373 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -96.06 165.22 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.193 0.52 . . . . 0.0 111.83 -174.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.62 23.81 13.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.985 0.898 . . . . 0.0 109.217 175.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -163.95 155.0 15.91 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.23 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -165.25 146.67 7.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.384 . . . . 0.0 110.452 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.2 tt -108.31 142.35 21.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 36.8 t -94.12 119.37 66.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.171 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 11.8 Cg_endo -56.24 144.77 80.38 Favored 'Trans proline' 0 C--O 1.239 0.566 0 C-N-CA 122.607 2.204 . . . . 0.0 111.453 177.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.423 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 92.6 m-85 65.84 13.02 8.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.633 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.9 m -134.16 -55.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.154 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.0 m 55.47 87.24 0.05 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.576 0.703 . . . . 0.0 111.395 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.54 ' HA ' ' C ' ' A' ' 16' ' ' LYS . 2.9 m -151.66 57.53 0.87 Allowed 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -30.16 112.17 0.08 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 113.676 -1.602 . . . . 0.0 112.79 -164.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.736 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 71.9 m-85 -85.76 107.34 17.57 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.508 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 59' ' ' ARG . 17.1 tpt85 -101.46 121.65 42.34 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.673 -174.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -92.62 97.31 10.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.092 0.472 . . . . 0.0 109.825 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 11.2 m-20 -90.9 131.66 36.74 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.629 176.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.24 -12.48 35.01 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.385 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -84.86 -9.96 57.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.382 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 61' ' ' ASP . 93.3 mt -89.53 170.42 10.51 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.67 -178.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 m -153.41 -160.81 1.16 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.78 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -67.22 -41.41 85.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.737 0.303 . . . . 0.0 110.855 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -92.61 -47.09 7.28 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.396 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -84.53 116.62 23.23 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.756 ' OG1' ' HA ' ' A' ' 20' ' ' ILE . 3.0 t -151.2 -59.93 0.17 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.329 0.585 . . . . 0.0 110.525 -175.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.706 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 8.2 p30 -152.52 165.92 16.49 Favored Pre-proline 0 C--N 1.312 -1.042 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.706 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 18.9 Cg_endo -60.31 134.29 54.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 123.024 2.483 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 28.0 m 80.5 142.28 0.07 Allowed 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.827 0.704 . . . . 0.0 110.8 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.95 109.83 1.65 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.467 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.678 ' SG ' HG21 ' A' ' 69' ' ' THR . 30.1 p -76.86 -10.27 59.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.628 0.251 . . . . 0.0 111.532 -176.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.8 mm? -78.63 130.13 35.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.459 ' HA ' ' HG2' ' A' ' 10' ' ' GLN . 37.4 t80 -80.71 94.75 6.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.437 0.636 . . . . 0.0 109.998 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.212 -179.91 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 pt . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.93 136.98 73.34 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.348 2.032 . . . . 0.0 111.604 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -107.66 155.65 19.92 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -116.74 159.88 21.61 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 178.375 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -128.61 108.58 10.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 55' ' ' SER . 91.7 mttt -102.65 -5.59 23.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.463 -173.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.7 mt -143.42 110.35 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.701 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 70.6 mt -124.23 119.44 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.205 0.526 . . . . 0.0 111.57 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 33.8 mt-10 -92.9 132.43 37.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.883 176.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.458 HD12 HG23 ' A' ' 22' ' ' VAL . 24.8 pt -133.84 155.45 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.805 0.336 . . . . 0.0 111.413 -174.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -95.79 17.99 58.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.539 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.458 HG23 HD12 ' A' ' 20' ' ' ILE . 30.5 m -124.41 176.29 5.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.782 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 39.5 ttmt -115.8 -25.79 7.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.209 0.528 . . . . 0.0 110.537 -176.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.8 104.63 12.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.266 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -146.73 152.26 38.52 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.449 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 26.2 ttt -114.46 128.37 56.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.967 0.413 . . . . 0.0 110.574 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.424 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 8.5 t -69.82 125.15 25.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.623 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.32 -0.704 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.25 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.575 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 10.5 t-160 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 120.773 0.321 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.5 mm -144.02 134.37 20.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.01 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.449 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 37.3 p90 -76.54 138.28 40.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.45 HG13 ' CD2' ' A' ' 58' ' ' TYR . 47.4 mm -119.25 110.35 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.156 0.503 . . . . 0.0 110.833 -178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -105.73 130.72 53.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.501 174.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.782 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 61.5 mtt -95.85 95.24 8.13 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.33 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.66 62.72 3.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.873 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.0 m 63.62 91.57 0.07 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.214 0.606 . . . . 0.0 111.096 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.9 t -161.72 164.61 28.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.37 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.79 -43.74 21.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.25 0.547 . . . . 0.0 109.761 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -159.22 147.85 18.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.425 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -136.55 133.59 36.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.776 0.322 . . . . 0.0 110.405 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 5.8 tt -79.82 167.87 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.457 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.9 t -119.39 111.37 36.6 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.828 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -58.96 145.25 98.03 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.853 2.368 . . . . 0.0 112.836 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.559 ' O ' ' HB3' ' A' ' 54' ' ' CYS . 70.1 m-85 69.74 32.76 3.14 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.987 172.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.575 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 14.5 p 172.79 -27.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 170.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 48.0 m 69.49 139.67 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.552 0.691 . . . . 0.0 109.866 -168.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.463 ' H ' ' H ' ' A' ' 57' ' ' LEU . 4.3 m -167.18 -18.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER 27.55 88.61 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 113.472 -1.695 . . . . 0.0 113.589 169.584 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.701 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 79.4 m-85 -88.17 117.1 26.83 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.228 0.537 . . . . 0.0 110.341 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.494 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 36.3 mtp180 -106.82 140.95 38.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.814 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.469 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 69.7 t80 -119.28 98.75 6.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.399 0.619 . . . . 0.0 110.603 177.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.513 ' H ' HD12 ' A' ' 64' ' ' LEU . 10.2 t70 -100.56 133.73 21.09 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.03 -18.5 13.51 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.055 2.503 . . . . 0.0 113.785 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.8 p -83.81 -9.44 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.218 -0.301 . . . . 0.0 111.374 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 61' ' ' ASP . 84.5 mt -83.36 115.59 22.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.499 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 41.3 m -66.5 158.92 28.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -69.88 -3.57 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -115.26 4.97 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.174 0.511 . . . . 0.0 110.108 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -97.99 154.96 17.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.446 -174.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.522 HG21 HD21 ' A' ' 75' ' ' LEU . 14.6 t -148.39 -161.52 1.36 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.767 -176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.531 ' HB3' HG23 ' A' ' 18' ' ' ILE . 26.4 t-20 -100.67 138.91 20.22 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 6.1 Cg_exo -77.37 -172.43 1.45 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 124.139 3.226 . . . . 0.0 114.5 -168.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.1 m 83.29 73.78 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.072 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 49.88 55.61 14.24 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.847 -0.615 . . . . 0.0 113.542 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.6 p -101.29 -175.64 2.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -175.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.522 HD21 HG21 ' A' ' 69' ' ' THR . 3.7 mm? 73.19 123.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.711 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -101.93 83.06 2.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.591 -171.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 48.7 mm . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.63 0.252 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 24.3 Cg_exo -63.45 135.89 52.01 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.897 2.398 . . . . 0.0 112.994 -177.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -125.24 153.02 43.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 42.8 m-85 -117.23 177.67 4.64 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.732 -172.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 120.685 0.279 . . . . 0.0 110.598 -179.021 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.691 0 CA-C-O 119.979 -0.345 . . . . 0.0 112.437 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 12.6 m-85 73.5 122.26 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.321 0.659 . . . . 0.0 111.27 -175.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 55' ' ' SER . 64.2 mttp -99.54 3.81 45.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.218 176.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -140.6 110.77 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.582 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.768 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 26.6 mm -108.42 121.52 61.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.722 0.772 . . . . 0.0 111.505 173.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.24 130.3 44.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.518 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' A' ' 9' ' ' PHE . 1.5 pp -149.04 164.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.936 0.398 . . . . 0.0 111.708 -174.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.28 19.6 31.71 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.421 ' O ' HD13 ' A' ' 20' ' ' ILE . 39.3 t -109.56 125.03 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 34.9 mtmt -93.14 -22.56 19.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.008 0.433 . . . . 0.0 110.941 -175.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -130.15 104.62 7.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.603 -171.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -156.63 171.52 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.343 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.556 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -112.22 120.48 41.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.25 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.631 ' HB3' ' O ' ' A' ' 39' ' ' ILE . 2.6 t -73.98 137.47 43.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.119 0.485 . . . . 0.0 111.614 -176.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.689 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.476 ' HE1' ' O ' ' A' ' 52' ' ' PRO . 13.2 t-80 . . . . . 0 CA--C 1.529 0.139 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.631 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 51.1 mt -147.79 127.28 4.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.009 -173.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 54.5 p90 -77.6 142.13 39.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.996 0.427 . . . . 0.0 110.839 -176.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.5 mm -113.37 127.07 70.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -131.48 111.8 12.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.344 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.704 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mpt? -75.06 82.83 2.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.988 0.423 . . . . 0.0 110.511 176.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.09 72.12 1.14 Allowed Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.832 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.4 m 66.85 13.41 9.4 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.148 0.579 . . . . 0.0 111.466 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 t -104.49 156.23 18.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.183 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.63 -35.81 22.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.6 -174.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.508 ' HB2' HD21 ' A' ' 57' ' ' LEU . 10.6 pt-20 -139.21 145.14 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.889 0.376 . . . . 0.0 111.411 -177.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -144.12 136.12 26.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.027 174.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 55' ' ' SER . 14.8 tt -104.36 144.99 13.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.426 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 44.4 t -93.63 115.55 65.24 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 178.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.476 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 31.5 Cg_exo -58.95 147.41 89.81 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.775 2.317 . . . . 0.0 110.886 176.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 62.81 34.23 14.65 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.437 0.461 . . . . 0.0 110.438 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.1 m -155.1 -49.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.068 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.621 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 13.0 p 48.02 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.71 0.767 . . . . 0.0 110.12 -166.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.431 HG22 HG12 ' A' ' 18' ' ' ILE . 3.0 m -158.77 41.69 0.24 Allowed 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 -169.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 48' ' ' GLU . 8.5 tt -40.22 114.22 0.43 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 113.822 -1.536 . . . . 0.0 112.163 -165.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.768 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 71.4 m-85 -91.12 113.71 26.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.637 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 ttp85 -109.63 126.36 53.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.905 0.383 . . . . 0.0 110.674 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -96.94 100.97 12.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.858 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.98 133.56 21.24 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.2 -11.16 7.38 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.542 2.828 . . . . 0.0 114.412 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.1 p -77.75 -16.96 58.05 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 110.304 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.4 -173.54 2.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.934 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 t -165.69 -167.98 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -69.42 -33.71 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.919 0.39 . . . . 0.0 110.649 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -94.96 -23.82 17.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.37 116.92 25.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.958 0.409 . . . . 0.0 110.505 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 t -115.56 -143.51 0.38 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.748 -175.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.596 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 4.2 p-10 -100.22 162.66 20.21 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 122.48 0.312 . . . . 0.0 111.537 -171.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.596 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 7.6 Cg_endo -50.19 149.77 11.69 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.669 2.913 . . . . 0.0 112.78 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.9 m 74.07 -49.25 0.67 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.218 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 108.38 105.65 3.01 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.304 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.1 m -130.25 89.83 2.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.086 0.47 . . . . 0.0 110.564 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 3.1 pp -138.39 151.29 47.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.871 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -84.29 102.51 12.73 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.256 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.1 t30 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.701 178.26 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.9 pt . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.55 0.214 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.2 117.84 4.71 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.792 2.328 . . . . 0.0 112.321 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 65.3 m80 -90.83 133.66 35.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -110.75 156.73 20.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.756 0.313 . . . . 0.0 111.316 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 8.8 pt20 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.132 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -162.47 157.93 23.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -162.42 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.473 HG23 HD22 ' A' ' 57' ' ' LEU . 71.4 mt -137.43 110.47 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.077 169.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 62.9 mt -108.84 117.92 55.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.131 0.491 . . . . 0.0 111.5 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 64' ' ' LEU . 37.8 mt-10 -91.45 128.25 37.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.01 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 pt -125.84 147.21 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 111.135 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.13 31.77 8.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.648 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 t -120.59 149.31 23.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HD3' ' HB2' ' A' ' 43' ' ' MET . 3.2 tmtm? -83.98 -32.01 25.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.069 0.461 . . . . 0.0 110.389 -175.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -124.19 140.94 52.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.048 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -155.79 167.84 29.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 19.3 ttt -146.48 141.69 27.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.869 0.366 . . . . 0.0 110.473 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.76 135.41 48.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.076 -175.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.544 0.735 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.431 178.714 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 53' ' ' TYR . 2.8 t-80 . . . . . 0 N--CA 1.469 0.486 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.434 ' O ' ' HG3' ' A' ' 26' ' ' MET . 30.1 mm -144.19 130.86 16.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.035 -173.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -71.75 130.67 41.68 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.496 0.498 . . . . 0.0 109.67 174.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -121.79 88.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.366 0.603 . . . . 0.0 110.465 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.78 155.77 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.643 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.547 ' HB2' ' HD3' ' A' ' 23' ' ' LYS . 13.8 mmt -119.92 45.82 2.08 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.538 -176.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.74 -46.72 59.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.602 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.2 t -169.42 98.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.783 HG21 ' HG3' ' A' ' 49' ' ' LYS . 17.0 m -155.11 -40.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.867 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 77.39 -52.37 0.54 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.068 0.947 . . . . 0.0 110.368 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' HB2' HD21 ' A' ' 57' ' ' LEU . 4.2 pt-20 -132.04 113.41 13.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.762 176.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.783 ' HG3' HG21 ' A' ' 46' ' ' THR . 9.3 tttp -116.25 114.55 24.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -173.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.552 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.2 tt -84.73 141.58 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.7 t -95.36 121.8 61.03 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.328 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.11 153.98 42.36 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 122.842 2.362 . . . . 0.0 111.828 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.9 m-85 61.52 26.61 16.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.612 -178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 55' ' ' SER . 86.9 m -149.69 -69.14 0.2 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 49.4 m 70.44 117.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -160.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.433 ' H ' ' H ' ' A' ' 57' ' ' LEU . 6.9 t 177.84 -14.71 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -165.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 5.4 tt 27.7 87.47 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 125.131 1.519 . . . . 0.0 113.024 172.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.605 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 78.4 m-85 -80.35 116.33 20.37 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -110.77 121.9 46.47 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.006 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -84.19 88.01 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 19.5 t70 -94.62 122.06 61.69 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.516 -173.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 26.9 Cg_exo -62.68 -17.48 59.1 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.083 2.522 . . . . 0.0 113.564 -176.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -81.43 -7.74 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.509 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 19' ' ' GLU . 98.1 mt -86.64 -165.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -152.67 168.92 24.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.11 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -63.69 -25.24 68.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.191 0.519 . . . . 0.0 110.285 175.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -98.0 -6.72 31.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.354 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -133.59 116.52 15.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.865 0.364 . . . . 0.0 110.939 -173.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 t -116.05 -122.28 0.29 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 7.2 t30 -100.44 134.15 20.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 10.9 Cg_exo -69.55 106.87 1.7 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.517 2.145 . . . . 0.0 111.38 -177.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.0 m 172.46 146.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -173.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.68 70.92 0.17 Allowed Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.027 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 53.7 m -82.7 -153.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.731 0.413 . . . . 0.0 111.054 -176.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 3.2 mm? 64.18 95.61 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.838 0.711 . . . . 0.0 111.623 -177.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.451 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 3.9 t80 -88.29 89.47 8.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.151 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 p30 . . . . . 0 C--N 1.319 -0.746 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.488 175.877 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 C--O 1.235 0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.4 120.46 8.13 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.985 2.457 . . . . 0.0 112.445 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.479 ' HD2' ' HB3' ' A' ' 76' ' ' TYR . 19.4 p-80 -130.9 124.17 30.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.373 177.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 38.3 m-85 -112.0 -179.46 3.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.009 -171.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' HG2' ' H ' ' A' ' 75' ' ' LEU . 10.1 pt20 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.302 -175.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.427 ' OH ' HG21 ' A' ' 72' ' ' THR . 35.4 m-85 -96.88 133.79 41.05 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -176.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -84.83 -20.13 31.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.423 -174.48 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.415 HG23 ' HB3' ' A' ' 57' ' ' LEU . 65.9 mt -134.75 110.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 172.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.679 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.1 mt -112.18 117.24 54.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.723 0.773 . . . . 0.0 111.552 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -91.38 140.04 30.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.783 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 pt -145.08 160.9 13.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.699 0.285 . . . . 0.0 110.232 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -100.22 22.76 38.65 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.619 175.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 24' ' ' GLU . 13.0 t -118.35 140.35 42.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -178.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 35.2 ttmt -94.62 -19.16 20.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.096 0.474 . . . . 0.0 110.834 -175.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.418 ' H ' HG12 ' A' ' 22' ' ' VAL . 40.3 mt-10 -117.07 111.3 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.043 177.429 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -139.84 144.9 37.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.01 0.433 . . . . 0.0 111.07 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.515 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 18.2 ttt -120.03 127.32 52.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 38' ' ' HIS . 7.5 p -77.09 87.41 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.473 -175.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t . . . . . 0 C--O 1.233 0.201 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.745 177.567 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.611 ' HE1' ' HB2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.7 tt -97.3 151.45 4.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 112.064 -167.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.515 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 37.1 p90 -83.28 139.41 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.007 176.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.7 mt -123.1 114.36 41.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.31 0.576 . . . . 0.0 111.323 -176.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -94.39 129.13 41.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.347 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.56 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 66.2 mtt -77.19 -40.05 46.61 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.813 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.05 -111.7 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.003 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.6 m -111.23 73.82 0.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.05 0.452 . . . . 0.0 110.68 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 p -142.66 165.04 28.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.528 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -95.93 -41.61 8.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.47 0.652 . . . . 0.0 109.752 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -149.27 137.52 20.75 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.604 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -140.6 133.89 29.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.83 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.528 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 13.4 tt -108.4 156.84 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.1 0.476 . . . . 0.0 110.909 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 43.8 t -94.37 110.2 47.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 172.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -48.29 -43.86 30.71 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.802 2.335 . . . . 0.0 111.661 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.611 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 64.7 m-85 -98.12 87.58 3.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.234 173.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.7 m 165.7 -52.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.188 0.995 . . . . 0.0 109.958 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.592 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 39.2 m 60.3 84.25 0.13 Allowed 'General case' 0 C--N 1.339 0.116 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 -168.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 m -167.11 60.41 0.08 Allowed 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 -168.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 1.3 tt -52.88 108.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.597 -170.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.679 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 35.0 m-85 -83.83 101.79 11.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.571 -177.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -93.64 125.31 38.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.05 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.558 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 57.3 t80 -81.28 91.72 6.26 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -94.22 122.9 60.45 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.345 -170.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.61 -14.62 22.1 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.975 2.45 . . . . 0.0 113.487 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -14.15 38.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.981 0.419 . . . . 0.0 110.391 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.9 mt -84.95 -164.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.656 172.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.437 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 12.7 p -140.0 164.49 29.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.612 0.244 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' GLY . 97.3 m-85 -64.13 -24.34 67.65 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.993 -174.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -102.58 18.16 21.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.082 0.467 . . . . 0.0 110.233 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -124.96 142.54 51.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.162 -173.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.421 ' HB ' ' CZ ' ' A' ' 9' ' ' PHE . 9.1 t -108.9 -141.81 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.461 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -100.34 155.67 36.13 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.62 107.0 1.55 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.314 2.009 . . . . 0.0 112.128 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.427 HG21 ' OH ' ' A' ' 15' ' ' TYR . 22.8 m 177.98 -53.31 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.418 1.087 . . . . 0.0 108.734 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.52 44.48 0.47 Allowed Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.179 -174.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.9 m -92.62 120.19 32.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.792 -0.204 . . . . 0.0 110.558 -176.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.548 ' H ' ' HG2' ' A' ' 10' ' ' GLN . 3.3 pp -166.96 134.07 2.43 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.479 ' HB3' ' HD2' ' A' ' 8' ' ' HIS . 46.1 t80 -102.35 93.03 4.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.6 178.334 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.5 pt . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.551 0.215 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.58 136.44 58.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.803 2.335 . . . . 0.0 112.098 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -90.59 121.66 32.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.667 0.746 . . . . 0.0 111.831 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 96.2 m-85 -102.38 -173.97 2.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.632 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 11.9 mt-30 . . . . . 0 C--N 1.323 -0.552 0 CA-C-O 121.212 0.529 . . . . 0.0 111.009 -172.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.52 ' CD1' HD11 ' A' ' 18' ' ' ILE . 74.6 m-85 -143.48 164.71 29.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 56' ' ' THR . 21.2 tptm -136.85 -36.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 110.691 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 57' ' ' LEU . 75.7 mt -135.66 115.88 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.9 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 32.6 mm -122.78 126.96 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -176.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.49 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 40.3 mt-10 -91.36 146.25 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.411 175.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.16 163.97 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.351 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.81 29.38 7.5 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.272 -178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.6 t -125.41 132.64 70.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -73.31 -27.51 61.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 111.565 -176.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.98 105.61 11.22 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -116.39 153.12 32.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.092 0.472 . . . . 0.0 110.965 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.543 ' SD ' ' HA ' ' A' ' 40' ' ' PHE . 11.1 tpt -147.17 145.09 29.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 9.2 m -70.95 150.74 45.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 175.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.078 174.741 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 27' ' ' CYS . 90.1 m-70 . . . . . 0 CA--C 1.513 -0.466 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.5 tp -101.31 152.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 O-C-N 123.427 0.454 . . . . 0.0 110.293 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.543 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 6.7 p90 -76.16 145.87 39.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.606 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.31 111.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 111.75 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.99 112.42 24.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.67 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.1 mmt -77.81 -65.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.007 0.432 . . . . 0.0 110.249 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.52 -107.89 1.71 Allowed Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.389 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 p -93.63 -9.19 38.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.83 0.347 . . . . 0.0 111.299 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.595 ' HB ' ' HE2' ' A' ' 49' ' ' LYS . 22.6 m -106.64 110.57 22.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' TYR . 49.7 m-20 -72.77 -41.46 65.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -169.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' HB2' HD21 ' A' ' 57' ' ' LEU . 16.8 pt-20 -111.14 125.7 54.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.087 0.47 . . . . 0.0 112.047 -173.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.595 ' HE2' ' HB ' ' A' ' 46' ' ' THR . 68.0 mttm -144.88 137.38 26.23 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.367 176.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 13.7 tt -94.88 161.59 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 41.6 t -99.88 113.66 65.25 Favored Pre-proline 0 N--CA 1.461 0.12 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.233 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -52.46 -32.13 51.37 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.833 2.356 . . . . 0.0 111.815 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.461 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 54.7 m-85 -111.93 80.1 1.29 Allowed 'General case' 0 C--O 1.247 0.962 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.348 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 2.3 m 158.15 -54.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 O-C-N 124.848 1.342 . . . . 0.0 110.13 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.548 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 54.1 p 86.43 -151.55 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 -148.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 10.4 m 85.27 71.77 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 167.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 1.4 tt -59.91 104.37 0.29 Allowed 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.953 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.9 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 65.2 m-85 -83.87 110.91 18.75 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 123.788 0.68 . . . . 0.0 109.59 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 31.2 mtm180 -104.0 114.95 29.57 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 83.0 t80 -86.16 93.45 9.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 172.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.544 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 11.7 t0 -82.89 125.02 76.27 Favored Pre-proline 0 C--N 1.317 -0.805 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -59.64 -12.91 19.29 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.929 2.419 . . . . 0.0 112.824 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m -82.83 -12.99 57.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.91 0.386 . . . . 0.0 110.485 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 94.2 mt -87.37 -171.11 3.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.9 t -158.61 174.23 15.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.69 -25.73 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.533 . . . . 0.0 110.671 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -93.82 2.67 56.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.524 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -123.49 142.67 50.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.145 0.497 . . . . 0.0 111.309 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -132.52 -150.1 0.4 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.675 ' ND2' HG23 ' A' ' 18' ' ' ILE . 5.6 p30 -100.33 165.22 14.84 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -175.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.547 ' O ' HG23 ' A' ' 72' ' ' THR . 45.3 Cg_endo -90.99 106.69 0.29 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 122.827 2.352 . . . . 0.0 112.453 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.7 p -169.29 -63.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 109.527 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 133.3 51.61 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.685 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 75' ' ' LEU . 77.6 m -78.29 -151.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.487 -0.357 . . . . 0.0 111.723 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 2.7 mt 70.79 110.88 0.06 Allowed 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.988 0.805 . . . . 0.0 111.667 -175.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -85.75 108.69 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.102 0.477 . . . . 0.0 110.669 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 p30 . . . . . 0 C--N 1.318 -0.762 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.193 174.688 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptp . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.828 0.347 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.69 132.33 53.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 68.52 2.59 3.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.829 0.706 . . . . 0.0 112.609 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.9 t80 53.91 72.76 0.42 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.575 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -134.35 94.7 3.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.397 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 26' ' ' MET . 13.5 pt -87.41 154.9 54.3 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.86 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.33 145.96 53.35 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.262 2.642 . . . . 0.0 113.675 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 26' ' ' MET . 97.8 m-70 -125.13 141.25 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.851 177.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.579 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 74.0 m-85 -115.71 154.91 28.71 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.527 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 9.6 pt20 -117.83 126.27 52.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.061 -173.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.44 112.58 23.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.671 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' CG ' HD23 ' A' ' 13' ' ' LEU . 27.7 p-10 -67.36 -55.88 12.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.552 HD21 ' HE1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -120.99 -26.34 5.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.402 167.351 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.42 94.54 2.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.405 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.552 ' HE1' HD21 ' A' ' 13' ' ' LEU . 11.5 m-30 -82.39 139.87 33.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -69.47 -30.31 68.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.906 -170.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -127.79 110.47 22.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 26.7 mm -105.61 130.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.35 0.595 . . . . 0.0 112.597 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' H ' ' HB3' ' A' ' 70' ' ' ASN . 26.2 mm-40 -91.45 121.55 33.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.839 177.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.46 HG23 HG22 ' A' ' 18' ' ' ILE . 46.4 pt -127.67 148.3 32.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.825 0.345 . . . . 0.0 111.018 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.96 14.31 57.3 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.606 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.7 m -121.79 147.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.7 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 58.1 mttp -101.95 -0.12 34.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.911 0.386 . . . . 0.0 111.06 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -117.03 124.05 48.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 73.4 t80 -146.95 147.17 30.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.261 0.553 . . . . 0.0 111.624 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.594 ' HB2' HD11 ' A' ' 6' ' ' ILE . 13.4 tpt -131.22 116.6 17.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.433 173.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 37' ' ' PRO . 51.8 t -68.85 139.63 55.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.443 -175.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 29' ' ' GLY . 11.3 t -86.28 166.4 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.844 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.442 ' N ' HG12 ' A' ' 28' ' ' VAL . . . 167.06 -35.25 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.0 -86.62 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.462 0.705 . . . . 0.0 111.529 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.1 p -93.29 90.01 6.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.259 0.552 . . . . 0.0 110.445 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 29.6 mm-40 -128.0 157.16 74.77 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.52 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 32' ' ' GLN . 12.3 Cg_exo -72.72 -14.56 27.09 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.934 2.422 . . . . 0.0 111.374 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -84.21 154.9 22.78 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 29.8 t0 -78.47 142.92 37.12 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.752 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 92.1 m-70 76.04 174.39 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.566 0 O-C-N 123.894 0.747 . . . . 0.0 109.577 -173.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.752 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 78.6 Cg_exo -41.69 -42.26 6.14 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 123.1 2.533 . . . . 0.0 113.831 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -160.24 -78.43 0.06 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.288 171.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.504 HG21 ' HD2' ' A' ' 52' ' ' PRO . 9.2 tp -148.15 150.94 13.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.42 175.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.469 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 8.3 p90 -91.19 134.37 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.611 0.243 . . . . 0.0 110.372 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.89 134.2 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.037 0.446 . . . . 0.0 111.524 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -134.03 150.52 51.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.7 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 52.6 mtt -97.49 -70.84 0.71 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.079 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.73 -106.52 1.58 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.11 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.8 m -92.82 -11.6 33.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.182 0.515 . . . . 0.0 110.606 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.1 p -108.24 100.48 9.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.358 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.906 ' HB3' ' HB3' ' A' ' 60' ' ' TYR . 25.2 m-20 -81.79 -1.92 49.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.249 0.547 . . . . 0.0 110.438 -177.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.66 109.05 17.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.295 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -141.41 116.83 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.89 0.376 . . . . 0.0 111.423 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.652 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 14.2 tt -90.23 153.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.807 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 52.5 t -93.68 121.52 64.48 Favored Pre-proline 0 C--N 1.321 -0.644 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.537 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.504 ' HD2' HG21 ' A' ' 39' ' ' ILE . 54.7 Cg_exo -52.82 128.58 29.14 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 122.928 2.418 . . . . 0.0 111.659 176.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 61.09 56.19 2.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.977 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.0 m -157.87 -46.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.248 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.8 m 61.54 85.37 0.12 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.486 0.66 . . . . 0.0 109.353 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 8.4 m -168.88 47.71 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -167.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.652 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 4.2 tt -53.17 107.01 0.19 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.943 -168.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.807 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 74.1 m-85 -79.75 104.37 10.29 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.514 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -107.34 128.4 54.42 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.4 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.906 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . 42.8 t80 -95.45 122.81 38.56 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 13.3 t70 -122.85 133.76 24.65 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.323 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 69.5 Cg_exo -53.32 -26.04 33.25 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 123.342 2.694 . . . . 0.0 113.996 -177.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.4 p -75.53 -17.28 60.13 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.237 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 61' ' ' ASP . 1.8 pp -118.46 144.79 45.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -122.81 -168.75 1.8 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.09 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -61.48 -22.4 65.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.103 0.478 . . . . 0.0 111.431 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -91.51 7.22 42.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.398 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -132.66 176.25 8.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.998 0.428 . . . . 0.0 111.177 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 t -161.92 -148.22 0.14 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.317 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.458 ' HB3' ' H ' ' A' ' 19' ' ' GLU . 3.7 p-10 -100.78 167.97 10.0 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.557 0.218 . . . . 0.0 111.066 -173.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.444 ' O ' ' HB ' ' A' ' 72' ' ' THR . 47.5 Cg_exo -56.88 130.56 40.49 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.631 2.221 . . . . 0.0 111.547 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 51.1 m 76.53 137.74 0.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.858 0.724 . . . . 0.0 110.587 -173.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.41 82.72 0.46 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.988 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.1 m -89.63 13.78 13.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.942 0.401 . . . . 0.0 111.104 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.93 135.44 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.527 ' HD1' ' HB3' ' A' ' 10' ' ' GLN . 62.7 t80 -81.2 124.74 29.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 6.5 p30 -113.41 115.89 46.76 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.513 -174.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 9.3 Cg_exo -71.83 129.44 15.44 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.954 2.436 . . . . 0.0 110.32 171.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -102.76 -59.41 1.71 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.874 0.368 . . . . 0.0 110.951 -169.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 89.8 mt -119.81 -20.3 7.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -177.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.49 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 1.6 pm0 -76.32 86.84 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.632 0.73 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -139.16 131.12 27.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.486 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -112.86 134.87 54.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.028 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -86.86 40.8 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.907 0.384 . . . . 0.0 110.731 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 58.32 80.55 0.18 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.519 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -83.92 129.0 34.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.505 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.724 177.023 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.89 43.93 29.17 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.331 0.586 . . . . 0.0 109.918 -175.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -74.16 145.99 43.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.32 -0.855 . . . . 0.0 113.152 -169.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -108.22 5.57 25.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.264 -1.334 . . . . 0.0 108.47 170.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -85.88 71.04 10.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.27 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.9 pt -129.64 153.07 80.69 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.36 175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.42 99.65 0.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.374 2.049 . . . . 0.0 111.65 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.35 119.11 30.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.304 0.573 . . . . 0.0 110.789 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 95.2 m-85 -102.4 173.08 6.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.996 -176.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 1.5 pp0? -147.18 137.87 23.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.841 -178.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -131.81 92.9 3.21 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.857 0.836 . . . . 0.0 110.855 172.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -89.23 -24.9 22.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.474 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.43 9.74 33.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.876 -175.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.41 -95.27 1.67 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.166 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.487 ' HB2' HD11 ' A' ' 18' ' ' ILE . 18.3 m-85 65.9 113.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.311 0.576 . . . . 0.0 111.158 -175.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.91 -50.53 62.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.257 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.0 mt -122.36 110.84 28.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.596 -0.441 . . . . 0.0 109.912 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 15' ' ' TYR . 17.9 mt -108.0 123.64 63.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.398 176.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' HG3' ' HB3' ' A' ' 59' ' ' ARG . 30.6 mp0 -91.29 138.21 31.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.992 0.425 . . . . 0.0 110.778 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.2 pt -137.7 157.14 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.49 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.08 28.17 17.26 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.105 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 t -127.5 142.85 42.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -87.35 -29.57 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.721 0.296 . . . . 0.0 111.69 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' HB3' ' HZ ' ' A' ' 40' ' ' PHE . 30.0 mt-10 -124.79 115.74 21.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.938 0.399 . . . . 0.0 110.803 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.416 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 45.2 t80 -145.03 141.12 28.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.387 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.708 ' HB2' ' HD1' ' A' ' 40' ' ' PHE . 19.6 ttt -125.41 132.27 52.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 78.2 m -61.16 123.82 18.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.167 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.4 t -67.58 141.09 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.154 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -156.57 -147.93 4.91 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.925 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.52 156.02 33.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.693 0.282 . . . . 0.0 110.504 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 m -82.9 76.99 9.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.135 0.493 . . . . 0.0 110.588 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -155.82 164.68 20.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.853 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.19 139.84 86.43 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.577 2.185 . . . . 0.0 111.821 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.676 ' HA ' ' HG2' ' A' ' 37' ' ' PRO . 94.0 m-85 -84.37 88.48 7.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.577 0.703 . . . . 0.0 111.055 -174.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.27 -52.97 2.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.072 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.779 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 21.2 t-80 -102.77 -33.44 0.21 Allowed Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.296 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.779 ' HD2' ' H ' ' A' ' 36' ' ' HIS . 13.3 Cg_endo -58.8 -144.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.445 0 C-N-CA 122.608 2.205 . . . . 0.0 114.225 174.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.542 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 10.9 m-70 -95.56 -172.44 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.239 -171.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.412 HG12 ' N ' ' A' ' 40' ' ' PHE . 17.4 tt -128.87 169.79 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.453 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.708 ' HD1' ' HB2' ' A' ' 26' ' ' MET . 92.5 t80 -84.01 125.86 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.44 HG23 ' CD ' ' A' ' 49' ' ' LYS . 3.7 mp -98.81 107.35 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.469 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.28 139.83 46.35 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.467 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 47.3 mtm -111.37 39.23 2.36 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.187 0.517 . . . . 0.0 110.935 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.87 -23.35 57.85 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 p -83.92 -64.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.165 -0.518 . . . . 0.0 110.493 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.8 p -120.93 150.77 40.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.005 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.8 15.59 3.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.221 0.534 . . . . 0.0 111.49 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.516 ' HB2' HD21 ' A' ' 57' ' ' LEU . 10.4 pt-20 -153.48 133.24 13.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.161 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' CD ' HG23 ' A' ' 41' ' ' ILE . 8.3 tttp -143.92 123.8 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.263 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 11.3 tt -84.31 157.52 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 175.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.894 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 48.5 t -104.72 112.0 65.27 Favored Pre-proline 0 C--N 1.33 -0.265 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.63 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 4.4 Cg_endo -47.65 -47.16 18.96 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.065 2.51 . . . . 0.0 111.75 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -101.74 79.51 1.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.26 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.69 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.3 m 164.49 -46.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 O-C-N 124.167 0.917 . . . . 0.0 110.954 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.557 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 19.3 m 77.14 -151.28 0.03 OUTLIER 'General case' 0 C--N 1.341 0.222 0 N-CA-C 104.894 -2.262 . . . . 0.0 104.894 -150.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.469 HG23 ' CG1' ' A' ' 18' ' ' ILE . 28.8 m 83.0 77.96 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 119.083 0.856 . . . . 0.0 109.127 165.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 9.3 tt -66.63 100.32 0.67 Allowed 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.655 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.894 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 73.2 m-85 -69.5 99.69 1.29 Allowed 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 1.5 tpt180 -93.81 114.16 26.35 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.933 -174.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.467 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 69.6 t80 -74.96 110.3 9.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 173.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.513 ' HB3' HD12 ' A' ' 64' ' ' LEU . 14.2 t70 -111.95 123.77 33.8 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.901 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.12 -2.84 12.87 Favored 'Trans proline' 0 CA--C 1.528 0.19 0 C-N-CA 122.604 2.203 . . . . 0.0 113.417 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.0 t -102.83 -9.94 19.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 61' ' ' ASP . 75.0 mt -79.55 -166.19 0.93 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.157 0.503 . . . . 0.0 110.199 175.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -154.06 -176.47 5.87 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -81.85 -11.96 58.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.49 0.662 . . . . 0.0 109.609 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -99.99 -7.51 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.042 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -117.44 162.1 18.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.37 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.3 t -174.5 -141.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.275 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -100.43 145.78 30.88 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 123.316 0.646 . . . . 0.0 110.105 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.413 ' O ' ' HB ' ' A' ' 72' ' ' THR . 89.0 Cg_exo -45.21 168.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 124.459 3.439 . . . . 0.0 115.729 -176.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 84.2 m 76.94 -57.91 0.52 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.433 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.81 74.1 0.26 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.081 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.3 m -88.23 37.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.932 0.396 . . . . 0.0 110.802 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.89 129.91 36.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.881 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.401 ' HA ' ' HG2' ' A' ' 10' ' ' GLN . 77.7 t80 -81.39 97.72 7.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.484 . . . . 0.0 110.168 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 79' ' ' LYS . 6.1 p30 -137.18 152.72 74.14 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.273 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 10.3 Cg_exo -72.47 62.71 3.63 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.981 2.454 . . . . 0.0 112.028 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.482 ' HB2' ' OD1' ' A' ' 77' ' ' ASN . 88.6 tttt -80.84 125.69 30.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.303 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 85.7 mt -77.73 91.36 4.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.815 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -115.74 -164.66 0.97 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.859 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -73.73 55.65 0.52 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.342 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.687 ' HB3' ' HA ' ' A' ' 87' ' ' HIS . 13.8 m-70 57.41 88.96 0.05 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.561 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -80.17 -65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.396 -172.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -113.24 16.71 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.507 0.67 . . . . 0.0 110.435 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -156.65 95.26 1.53 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.895 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.687 ' HA ' ' HB3' ' A' ' 83' ' ' HIS . 10.3 t60 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.111 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.914 0.387 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.05 167.55 21.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.65 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -118.28 -33.86 4.25 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.999 0.428 . . . . 0.0 110.693 -176.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -107.26 34.22 3.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.256 0.55 . . . . 0.0 110.243 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -91.71 132.24 36.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.068 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.3 pt -82.26 154.06 69.18 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.512 176.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.15 141.98 97.3 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.706 2.27 . . . . 0.0 111.803 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.757 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 27.6 m-70 -90.56 117.29 29.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.456 ' HA ' ' H ' ' A' ' 75' ' ' LEU . 88.2 m-85 -102.46 -173.99 2.46 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.064 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.741 ' HG2' ' HB2' ' A' ' 76' ' ' TYR . 36.6 mt-30 -112.49 168.04 9.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.619 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 57.1 t30 -80.73 160.02 25.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.626 0.727 . . . . 0.0 112.024 -167.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -88.83 12.48 15.0 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.063 -171.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.619 ' HG ' ' ND2' ' A' ' 11' ' ' ASN . 90.4 mt -76.9 -18.39 58.34 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.22 -13.1 22.09 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.188 -1.006 . . . . 0.0 113.939 -173.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.45 ' CE1' ' HA3' ' A' ' 73' ' ' GLY . 7.4 m-85 -121.24 148.26 44.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.214 0.507 . . . . 0.0 111.59 -175.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 55' ' ' SER . 98.0 mttt -108.91 -22.04 12.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.396 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.93 110.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.777 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.5 mt -106.74 125.09 62.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.865 0.84 . . . . 0.0 111.695 175.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -91.25 137.45 32.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.411 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 pt -135.17 153.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.969 0.414 . . . . 0.0 111.289 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.89 12.62 53.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.748 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.3 m -131.36 165.3 31.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -100.3 -14.88 18.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.658 0.266 . . . . 0.0 111.256 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -103.81 112.22 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -142.2 157.42 44.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.573 ' HG2' ' HB3' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -146.98 136.76 23.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -177.848 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 71.3 m -68.57 98.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.6 t -35.81 113.65 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.01 164.31 34.21 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.442 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.76 168.52 17.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.84 0.32 . . . . 0.0 110.886 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.66 118.8 7.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.694 -177.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.447 ' HB2' ' HD2' ' A' ' 33' ' ' PRO . 29.9 pt20 -171.04 174.33 1.6 Allowed Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 32' ' ' GLN . 51.9 Cg_exo -55.14 126.3 22.09 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 121.678 1.585 . . . . 0.0 110.523 170.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -104.58 0.76 28.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.949 0.404 . . . . 0.0 111.196 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -89.24 6.48 40.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.407 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.755 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . 51.7 t-80 -130.63 -56.64 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.748 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 36' ' ' HIS . 26.2 Cg_exo -64.68 -69.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.107 1.872 . . . . 0.0 112.304 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.828 ' HE1' ' HB3' ' A' ' 54' ' ' CYS . 81.4 m-70 -149.77 127.08 11.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.016 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 tp -87.62 152.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 -177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.573 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 27.8 p90 -81.52 149.04 28.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.378 176.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.479 HD11 ' HB2' ' A' ' 51' ' ' CYS . 1.8 mp -106.71 111.5 35.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.416 0.627 . . . . 0.0 111.175 -175.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -107.61 108.1 19.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 170.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.4 ttm -80.86 93.96 6.38 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.932 0.396 . . . . 0.0 110.643 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.14 -100.1 0.93 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.064 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -96.73 31.06 2.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 111.371 -175.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 48' ' ' GLU . 1.9 m -133.64 147.83 51.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -74.49 -17.53 60.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.134 0.492 . . . . 0.0 110.245 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HB2' HD21 ' A' ' 57' ' ' LEU . 9.5 pt-20 -137.08 158.19 45.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.207 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -152.45 140.32 20.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.739 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.809 HD11 ' HA ' ' A' ' 55' ' ' SER . 14.0 tt -128.42 151.35 35.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.199 0.523 . . . . 0.0 111.745 -175.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.479 ' HB2' HD11 ' A' ' 41' ' ' ILE . 41.5 t -93.81 106.42 21.59 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 171.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.8 -16.95 47.41 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.171 2.58 . . . . 0.0 113.112 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -89.35 15.78 8.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.836 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.828 ' HB3' ' HE1' ' A' ' 38' ' ' HIS . 20.8 p -156.6 -39.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.809 ' HA ' HD11 ' A' ' 50' ' ' ILE . 69.7 m 69.28 97.73 0.06 Allowed 'General case' 0 C--N 1.337 0.055 0 O-C-N 123.787 0.679 . . . . 0.0 109.45 -169.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.454 ' HA ' ' C ' ' A' ' 16' ' ' LYS . 8.9 m -158.48 42.95 0.27 Allowed 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 -171.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' A' ' 48' ' ' GLU . 7.7 tt -40.67 116.69 0.73 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.991 -166.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.777 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 87.2 m-85 -91.97 113.09 25.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.985 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -118.63 141.52 48.51 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.798 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -93.46 114.09 26.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.02 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -116.05 130.92 24.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.08 -6.09 13.75 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.042 2.495 . . . . 0.0 113.665 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -81.5 -11.56 59.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.174 0.511 . . . . 0.0 110.471 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.3 mt -92.76 -165.94 1.44 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.536 ' HB3' ' OE1' ' A' ' 68' ' ' GLN . 37.0 t -145.72 166.43 25.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.604 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -80.51 2.95 23.23 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -119.54 5.46 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.23 0.538 . . . . 0.0 109.988 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.536 ' OE1' ' HB3' ' A' ' 65' ' ' SER . 21.5 mp0 -124.31 179.35 4.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.491 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 t -156.93 -118.35 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.897 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -100.66 151.32 37.55 Favored Pre-proline 0 N--CA 1.45 -0.472 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.34 131.21 19.95 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.93 2.42 . . . . 0.0 113.245 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 m 75.35 -59.66 0.53 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.716 173.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' HA3' ' CE1' ' A' ' 15' ' ' TYR . . . -81.21 55.97 4.84 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.469 -173.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.3 p -150.19 163.85 37.19 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.65 -0.324 . . . . 0.0 110.99 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.757 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 13.2 mt 72.31 103.01 0.07 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 124.257 0.973 . . . . 0.0 112.823 173.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.741 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . 64.3 t80 -116.25 97.16 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.043 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.518 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 84.7 m-20 -121.07 123.41 27.84 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.667 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.518 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 11.7 Cg_exo -72.16 -4.95 16.16 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 123.138 2.558 . . . . 0.0 113.003 -176.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -107.76 103.35 12.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mp -122.09 158.14 29.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.315 -176.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.29 155.35 21.39 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -121.1 -24.83 5.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.779 0.323 . . . . 0.0 111.716 -172.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -121.48 -15.72 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.944 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.1 p80 50.8 31.21 5.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.019 0.928 . . . . 0.0 111.911 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -67.15 -36.51 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.76 178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -74.75 111.67 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.183 173.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.5 t60 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.669 -0.682 . . . . 0.0 110.063 178.715 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.789 0.328 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.26 128.64 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.148 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -98.63 105.63 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -79.52 86.76 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.357 0.599 . . . . 0.0 110.704 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -111.54 102.07 10.44 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.489 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.5 pt -103.27 153.81 38.16 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.883 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.34 122.3 11.26 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.653 2.235 . . . . 0.0 112.202 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -95.7 142.1 28.4 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 15.6 m-85 -111.76 165.38 12.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.794 0.33 . . . . 0.0 111.568 -171.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HG2' ' N ' ' A' ' 75' ' ' LEU . 4.0 pt20 -126.29 151.61 47.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.857 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 6.1 p-10 -94.91 94.44 8.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.515 0.674 . . . . 0.0 111.235 -178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -88.8 -66.98 0.87 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.947 0.404 . . . . 0.0 110.923 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD21 ' HG2' ' A' ' 71' ' ' PRO . 3.0 pp -81.16 -9.93 59.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.455 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.61 -179.92 26.92 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' HB3' ' HB3' ' A' ' 11' ' ' ASN . 54.3 p90 -143.62 -1.44 1.01 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -72.62 -29.31 63.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.353 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.77 110.5 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.619 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 62.3 mt -125.02 129.25 73.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.194 0.521 . . . . 0.0 111.277 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.544 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 41.4 mt-10 -91.36 150.12 21.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.421 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 37.7 pt -141.19 161.55 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.189 0.518 . . . . 0.0 111.364 -175.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -117.89 24.72 8.77 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.259 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.429 HG12 ' CD2' ' A' ' 66' ' ' TYR . 35.2 m -119.73 157.94 21.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.725 -0.237 . . . . 0.0 110.371 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.51 -26.77 11.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.084 0.469 . . . . 0.0 110.944 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.13 122.5 45.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CE2' ' HB ' ' A' ' 41' ' ' ILE . 32.7 p90 -147.74 165.04 31.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.805 0.336 . . . . 0.0 111.084 -174.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.565 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 21.8 ttt -140.97 126.2 18.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.071 176.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.45 135.53 47.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.096 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 m -83.27 -178.72 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 121.413 0.625 . . . . 0.0 112.072 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.85 159.08 10.48 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.788 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 -65.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.261 0.531 . . . . 0.0 111.015 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.6 m -116.93 94.85 4.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.181 0.515 . . . . 0.0 110.988 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 55.8 mt-30 -139.73 139.49 22.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.006 175.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 32' ' ' GLN . 12.6 Cg_exo -70.5 64.57 2.24 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 123.115 2.543 . . . . 0.0 112.775 -177.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -140.32 6.59 2.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.003 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.74 -58.23 0.49 Allowed 'General case' 0 N--CA 1.478 0.951 0 O-C-N 123.88 0.738 . . . . 0.0 111.341 -174.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -86.59 153.98 55.98 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.924 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -26.47 -68.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 125.202 3.935 . . . . 0.0 114.535 -174.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HE1' ' O ' ' A' ' 52' ' ' PRO . 13.9 t-160 -143.46 -98.27 0.11 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.863 170.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.0 tt -148.3 155.44 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.506 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.565 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 36.5 p90 -103.85 137.38 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.35 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.623 ' HB ' ' CE2' ' A' ' 25' ' ' PHE . 40.5 mt -127.72 148.19 32.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.143 -178.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -113.51 159.9 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.698 0.285 . . . . 0.0 110.257 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.598 ' HG3' ' HE1' ' A' ' 25' ' ' PHE . 51.5 mtt -120.26 39.8 3.62 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.66 -13.23 80.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.472 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -112.82 -61.22 1.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -116.91 151.15 37.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.482 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -90.0 -7.92 52.84 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 50.6 mt-10 -128.81 120.44 26.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.577 177.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -142.37 128.7 19.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.5 tt -87.76 154.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.694 ' HB3' ' O ' ' A' ' 55' ' ' SER . 35.8 t -93.91 123.24 60.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.426 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 36.8 Cg_exo -60.09 153.02 61.21 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.433 2.089 . . . . 0.0 112.276 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 75.96 -16.55 0.59 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 173.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.8 p -153.58 16.96 0.53 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.694 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 68.4 m 62.57 -153.68 0.34 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 55' ' ' SER . 18.4 m 94.93 73.7 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 124.429 1.092 . . . . 0.0 108.793 -176.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 6.5 tt -73.42 99.87 3.08 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.732 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.619 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 91.8 m-85 -75.54 122.34 23.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.97 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.544 ' HD2' ' OE1' ' A' ' 19' ' ' GLU . 38.2 ttm180 -117.26 111.29 19.21 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.589 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 71.5 t80 -81.68 105.43 12.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 9.3 t70 -103.66 128.64 26.94 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 35.8 Cg_exo -61.58 -15.63 42.84 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.268 2.645 . . . . 0.0 113.879 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.9 p -89.25 -6.36 56.87 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.069 0.462 . . . . 0.0 110.493 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 69' ' ' THR . 94.4 mt -92.6 -169.67 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.034 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 45.3 m -152.19 -177.57 6.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.685 0.278 . . . . 0.0 110.776 -178.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.429 ' CD2' HG12 ' A' ' 22' ' ' VAL . 68.8 m-85 -83.74 -20.35 33.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.921 0.391 . . . . 0.0 110.587 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -87.39 -34.44 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.995 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -114.94 116.52 28.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.54 ' O ' HD13 ' A' ' 64' ' ' LEU . 6.6 t -92.8 -55.03 3.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.819 -173.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.885 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 3.1 p-10 -140.43 173.29 5.12 Favored Pre-proline 0 C--N 1.315 -0.922 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -177.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.885 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 11.9 Cg_endo -55.0 145.35 63.81 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.597 2.198 . . . . 0.0 112.383 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 86.7 m 80.7 -20.96 0.35 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.631 0.582 . . . . 0.0 110.844 -177.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.14 -70.71 0.2 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.49 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 92.4 m 55.9 83.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.509 0.671 . . . . 0.0 112.704 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.56 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 3.6 pp -138.48 143.08 39.43 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.338 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -118.23 96.95 5.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.271 0.558 . . . . 0.0 110.202 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -92.15 118.92 68.38 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.448 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.02 93.62 0.22 Allowed 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.611 2.207 . . . . 0.0 112.455 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -86.65 68.58 10.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.679 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.7 mt -119.34 -116.76 0.32 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.585 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.71 -33.76 19.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.2 t60 63.51 29.48 15.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.096 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -104.36 -51.64 3.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.816 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -135.31 134.15 39.59 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -172.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -76.34 21.45 0.18 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -174.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.9 p80 174.2 -172.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 . . . . . 0 C--N 1.317 -0.831 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 173.523 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.46 24.51 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.298 0.57 . . . . 0.0 110.195 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.0 103.06 3.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.14 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -112.88 128.91 56.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -80.9 119.11 23.03 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.7 pt -79.14 156.54 76.56 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.125 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -63.35 128.51 22.76 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.574 2.183 . . . . 0.0 111.551 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.573 ' ND1' ' HB3' ' A' ' 76' ' ' TYR . 5.0 p80 -96.34 128.62 43.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.347 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -115.51 166.22 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.283 0.564 . . . . 0.0 112.303 -171.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.919 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -165.89 146.32 6.61 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.482 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.414 HD22 ' HA ' ' A' ' 11' ' ' ASN . 2.3 t-20 -129.14 118.6 22.7 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.4 -177.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -82.1 -48.96 10.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.852 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 2.8 pp -74.09 -23.98 59.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' N ' HD12 ' A' ' 13' ' ' LEU . . . -132.27 -84.48 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.329 -0.938 . . . . 0.0 112.572 -178.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.48 ' HA ' HD11 ' A' ' 18' ' ' ILE . 59.7 t80 77.99 -31.5 0.16 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.863 0.865 . . . . 0.0 111.515 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -66.41 -44.69 82.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.007 0.432 . . . . 0.0 110.628 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.539 HG23 ' HB3' ' A' ' 57' ' ' LEU . 75.4 mt -132.94 111.84 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.916 176.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 64.9 mt -118.49 123.63 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.22 0.533 . . . . 0.0 112.234 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.721 ' HG3' ' HB2' ' A' ' 59' ' ' ARG . 37.7 mp0 -90.87 131.29 36.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.506 HD12 ' HB ' ' A' ' 22' ' ' VAL . 36.3 pt -136.9 151.15 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -94.18 29.95 8.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.374 174.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.506 ' HB ' HD12 ' A' ' 20' ' ' ILE . 31.0 t -114.29 122.49 68.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.589 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 83.0 tttt -83.99 -13.99 51.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.842 0.353 . . . . 0.0 111.343 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -141.08 109.49 5.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.264 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -134.75 157.98 45.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.641 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -140.52 156.38 46.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.486 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.454 ' N ' ' SD ' ' A' ' 26' ' ' MET . 91.4 m -73.1 123.54 23.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.076 0.465 . . . . 0.0 112.108 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.02 141.95 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.923 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.06 -83.65 0.36 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.603 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.4 48.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.496 0.665 . . . . 0.0 109.704 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -75.09 97.91 3.55 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.368 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.837 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 97.0 mt-30 -132.44 176.2 3.1 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.837 ' HD2' ' HB3' ' A' ' 32' ' ' GLN . 45.0 Cg_exo -30.65 117.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 123.951 3.101 . . . . 0.0 113.363 177.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -74.34 87.45 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.91 -169.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -159.61 -52.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.251 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.755 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 75.8 m-70 -115.75 -57.72 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 119.029 -0.51 . . . . 0.0 112.233 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.755 ' HD2' ' H ' ' A' ' 36' ' ' HIS . 1.2 Cg_endo -44.59 -55.63 3.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 C-N-CA 122.612 2.208 . . . . 0.0 112.876 -177.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.408 ' HE1' ' SG ' ' A' ' 54' ' ' CYS . 83.9 m-70 -150.84 -176.04 5.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.44 176.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.405 ' C ' ' HE2' ' A' ' 26' ' ' MET . 11.2 tp -142.55 162.42 18.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.288 -174.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.404 ' N ' HG13 ' A' ' 39' ' ' ILE . 43.7 p90 -91.92 141.85 28.19 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.87 123.03 67.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.703 0.287 . . . . 0.0 110.278 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -121.43 141.94 50.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.899 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.655 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 2.0 mpt? -107.5 33.97 3.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.0 -83.51 0.11 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.085 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.6 m -84.47 -15.35 46.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.906 0.384 . . . . 0.0 110.789 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.542 ' O ' ' HA ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -111.23 114.38 27.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.356 -178.446 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -74.66 -26.35 59.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 8.1 pt-20 -141.29 127.39 19.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.219 0.533 . . . . 0.0 111.292 176.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -130.87 131.32 44.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.872 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.524 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 14.5 tt -88.81 159.66 2.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 173.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.579 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 40.6 t -99.05 114.41 65.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.045 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 7.5 Cg_endo -50.49 -35.04 44.36 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.095 2.53 . . . . 0.0 111.722 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -113.2 84.96 2.09 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.536 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.8 m 154.46 -37.78 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.433 1.093 . . . . 0.0 111.232 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.562 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 28.2 m 73.99 -149.18 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 106.085 -1.821 . . . . 0.0 106.085 -153.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 55' ' ' SER . 28.6 m 84.45 79.65 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 172.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.539 ' HB3' HG23 ' A' ' 17' ' ' ILE . 2.9 tt -70.72 99.96 1.79 Allowed 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.125 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 90.3 m-85 -76.66 103.64 6.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.014 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.721 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 82.5 mtt180 -93.89 119.53 32.94 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.352 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.655 ' HB2' ' HG2' ' A' ' 43' ' ' MET . 88.7 t80 -107.14 103.93 13.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.161 0.505 . . . . 0.0 109.811 174.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -108.77 140.79 22.18 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.77 -9.47 9.6 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.914 2.409 . . . . 0.0 113.771 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.4 m -85.15 -15.54 43.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.09 0.472 . . . . 0.0 110.166 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.7 mt -91.25 149.55 21.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.786 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.412 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 37.1 t -127.94 174.64 9.01 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -67.97 -12.64 61.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.026 0.441 . . . . 0.0 111.013 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -96.71 -2.95 43.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.273 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.412 ' HB2' ' H ' ' A' ' 65' ' ' SER . 53.0 mt-30 -128.15 160.68 31.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.561 -177.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -170.63 -131.37 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.912 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.53 ' CG ' ' HD2' ' A' ' 71' ' ' PRO . 21.0 t-20 -100.43 153.13 37.92 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 70' ' ' ASN . 65.4 Cg_exo -27.97 136.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 124.786 3.657 . . . . 0.0 114.427 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.9 m -48.12 128.02 13.32 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.94 -172.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.94 35.52 0.89 Allowed Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -169.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.67 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 2.2 p -124.17 -11.1 7.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.797 -0.701 . . . . 0.0 112.15 -173.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -85.94 145.55 27.09 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.033 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.919 ' HA ' ' HG2' ' A' ' 10' ' ' GLN . 76.6 t80 -81.32 100.03 8.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 110.785 -177.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -104.74 152.29 39.47 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.1 -0.955 . . . . 0.0 108.857 171.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.67 85.93 0.17 Allowed 'Trans proline' 0 CA--C 1.529 0.231 0 C-N-CA 122.59 2.193 . . . . 0.0 114.008 -172.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -96.51 59.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.652 0.739 . . . . 0.0 109.316 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 80' ' ' LEU . 4.9 tt -80.06 -16.25 55.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.979 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 72.57 162.84 0.26 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.39 -177.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.6 m80 63.83 27.5 14.56 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 122.66 0.384 . . . . 0.0 111.558 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.48 129.34 40.68 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.751 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -69.81 -33.74 72.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.771 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -96.92 125.83 41.63 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -116.52 100.97 8.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.504 0.668 . . . . 0.0 110.848 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 . . . . . 0 C--O 1.246 0.878 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.396 -178.62 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 120.796 0.332 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.41 85.66 1.45 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.028 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -69.64 -31.7 69.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.642 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -109.47 138.32 46.01 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -85.06 -15.34 44.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 111.406 -172.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 pt -74.31 154.47 88.12 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.94 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -52.47 141.54 51.21 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.05 2.5 . . . . 0.0 112.321 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.532 ' HB3' ' HB3' ' A' ' 76' ' ' TYR . 34.7 m170 -92.95 112.17 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.301 0.572 . . . . 0.0 111.211 -176.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.547 ' O ' ' HB2' ' A' ' 76' ' ' TYR . 89.3 m-85 -104.31 -174.04 2.45 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.975 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -112.46 -169.5 1.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.953 0.406 . . . . 0.0 111.237 -170.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -71.34 126.29 29.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.836 -172.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.515 ' HB2' HG21 ' A' ' 56' ' ' THR . 21.1 p-10 -88.7 9.81 22.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.786 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -91.55 21.43 4.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.777 0.323 . . . . 0.0 111.312 177.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.09 -72.25 0.79 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.826 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.35 127.1 38.82 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' HA ' ' O ' ' A' ' 55' ' ' SER . 76.6 mttt -81.96 -5.92 58.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -172.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' ' 57' ' ' LEU . 65.4 mt -139.06 110.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 171.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.672 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 30.2 mt -124.92 131.82 72.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.204 0.526 . . . . 0.0 112.222 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -91.41 142.49 27.62 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 69' ' ' THR . 23.9 pt -138.27 158.2 31.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.655 0.264 . . . . 0.0 110.745 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.615 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -96.93 -14.9 41.19 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.141 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 HD12 ' A' ' 20' ' ' ILE . 19.0 m -82.27 142.57 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 0.0 110.643 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HE3' ' HB2' ' A' ' 23' ' ' LYS . 23.2 ttmt -96.99 -6.42 35.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.487 0.661 . . . . 0.0 110.219 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.08 129.59 36.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.743 172.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -148.1 149.99 33.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.286 0.565 . . . . 0.0 111.033 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -146.75 140.34 25.79 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 66.1 m -55.47 119.64 5.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.2 t -54.99 -54.75 20.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -172.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.77 143.07 3.58 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.982 -1.104 . . . . 0.0 112.663 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.26 -73.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.0 m -123.97 -31.31 3.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.95 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.783 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 1.5 mp0 61.18 78.52 0.31 Allowed Pre-proline 0 N--CA 1.467 0.383 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.537 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.01 -2.58 10.23 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.571 2.181 . . . . 0.0 112.513 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -133.96 -167.45 1.95 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.793 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.67 112.62 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.438 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.783 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 30.1 m170 69.21 178.77 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.5 0 O-C-N 123.718 0.637 . . . . 0.0 110.66 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.783 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 87.4 Cg_exo -45.74 92.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 123.189 2.593 . . . . 0.0 113.855 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.595 ' HE2' ' HB2' ' A' ' 53' ' ' TYR . 14.3 t-160 48.11 -96.92 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.95 -174.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.5 tp -148.41 153.86 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -90.89 138.69 31.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.79 0.329 . . . . 0.0 110.5 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -127.86 128.56 69.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.765 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.76 137.59 43.56 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.7 -63.36 1.36 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.015 0.436 . . . . 0.0 110.636 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.37 -79.07 1.08 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.282 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.4 t -117.14 -41.05 3.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.704 0.287 . . . . 0.0 110.333 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 p -85.83 125.04 32.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.931 0.396 . . . . 0.0 110.752 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -80.7 -18.92 46.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.882 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 122.13 36.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.733 0.778 . . . . 0.0 111.909 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -134.05 -170.65 2.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.68 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 tt -137.92 155.69 30.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.85 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 49.7 t -93.83 105.85 18.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -62.27 133.83 45.53 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.634 2.222 . . . . 0.0 111.452 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.595 ' HB2' ' HE2' ' A' ' 38' ' ' HIS . 85.1 m-85 70.01 29.64 3.83 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.505 0.503 . . . . 0.0 110.542 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 13.9 m -147.83 -48.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.398 174.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.698 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 25.2 m 66.91 97.98 0.05 Allowed 'General case' 0 C--N 1.34 0.158 0 O-C-N 123.891 0.744 . . . . 0.0 109.74 -173.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.515 HG21 ' HB2' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -163.34 40.45 0.1 Allowed 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -169.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.437 ' HB3' HG23 ' A' ' 17' ' ' ILE . 5.3 tt -33.96 100.05 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.712 1.257 . . . . 0.0 111.66 -168.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.85 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 84.9 m-85 -82.7 106.27 14.42 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.759 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -112.54 114.66 27.42 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.986 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -76.25 109.03 9.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 14.6 t70 -91.02 132.68 33.68 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 37.0 Cg_exo -61.7 -12.29 24.42 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.864 2.376 . . . . 0.0 113.414 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 m -87.76 -9.52 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 110.721 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 90.6 mt -96.73 146.24 25.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.941 0.4 . . . . 0.0 110.877 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.615 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 15.1 m -94.94 167.59 11.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.486 175.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -64.72 -17.64 64.31 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -92.46 -3.48 55.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.237 0.541 . . . . 0.0 110.253 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -109.99 -179.27 3.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.439 0.638 . . . . 0.0 111.78 -174.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 20' ' ' ILE . 7.9 t -168.25 -142.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.779 -175.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.823 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 17.2 p-10 -100.37 -178.93 0.74 Allowed Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 176.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.823 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 80.3 Cg_exo -22.84 107.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 124.038 3.158 . . . . 0.0 113.461 -176.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.7 t -62.69 92.93 0.05 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.442 1.115 . . . . 0.0 112.43 -166.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -166.59 21.25 0.11 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.727 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 37.9 t -114.59 24.04 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.697 . . . . 0.0 109.948 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.35 139.21 37.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.285 177.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.547 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 6.4 t80 -84.65 94.63 8.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.083 0.468 . . . . 0.0 109.867 -178.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.475 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 7.3 p30 -104.46 132.45 20.94 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.659 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 17.2 Cg_exo -67.2 97.12 0.41 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.795 2.33 . . . . 0.0 111.911 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -83.57 -24.04 31.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.524 0.678 . . . . 0.0 109.786 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 47.3 tp -75.66 156.39 34.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.088 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 3.9 mm-40 73.45 144.52 0.07 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.956 0.785 . . . . 0.0 112.097 177.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -93.36 -24.79 17.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 168.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -80.02 115.49 19.62 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.805 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -123.9 173.0 8.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.409 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -86.67 107.04 18.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.872 0.368 . . . . 0.0 110.127 -174.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -93.45 132.16 37.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.9 p80 . . . . . 0 C--O 1.245 0.843 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.045 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.3 98.91 8.37 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.29 -85.54 0.25 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.642 -176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -157.22 148.59 22.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.846 0.355 . . . . 0.0 110.962 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -93.0 -35.08 13.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.462 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 27.4 pt -79.42 150.44 73.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.119 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 1.1 Cg_endo -81.93 -175.48 2.57 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 123.34 2.694 . . . . 0.0 113.175 -176.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -90.74 124.53 35.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.017 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.678 ' HZ ' HG21 ' A' ' 18' ' ' ILE . 3.7 t80 -102.18 -174.3 2.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.203 -172.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.496 ' HB2' ' HB2' ' A' ' 74' ' ' CYS . 9.4 mm100 -112.84 177.2 4.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -81.15 151.82 28.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.451 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 1.3 m-20 -53.16 -39.19 63.39 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.607 -173.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.06 4.95 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.716 -168.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.24 -48.18 8.47 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.896 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.456 ' HB2' HD11 ' A' ' 18' ' ' ILE . 42.0 m-85 -143.41 136.73 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -177.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 55' ' ' SER . 57.7 mttp -82.17 -9.14 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.3 mt -137.94 110.87 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.678 HG21 ' HZ ' ' A' ' 9' ' ' PHE . 30.0 mm -112.04 130.68 65.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.533 0.682 . . . . 0.0 112.508 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -91.31 137.69 32.16 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 171.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.486 HG23 HG22 ' A' ' 18' ' ' ILE . 21.3 pt -140.1 159.6 26.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 111.832 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.2 21.7 9.99 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.207 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 66' ' ' TYR . 34.1 m -112.82 148.34 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -96.54 -13.08 23.24 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -143.22 131.34 21.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.791 0.329 . . . . 0.0 111.185 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -166.01 136.05 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.41 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.531 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 24.2 ttt -104.09 126.51 51.25 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 38' ' ' HIS . 34.7 t -54.22 120.98 7.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.494 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.73 137.05 22.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.626 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.57 79.33 0.33 Allowed Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.98 -52.06 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.876 0.369 . . . . 0.0 111.105 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 p -89.02 97.1 11.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.46 87.89 0.11 Allowed Pre-proline 0 N--CA 1.466 0.346 0 O-C-N 124.113 0.883 . . . . 0.0 110.001 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.97 138.23 43.55 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.746 2.297 . . . . 0.0 112.537 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -79.89 40.8 0.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.642 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 35.0 t70 68.45 113.4 0.04 OUTLIER 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.871 0.869 . . . . 0.0 109.802 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 67.0 m80 70.17 175.44 0.07 OUTLIER Pre-proline 0 N--CA 1.47 0.57 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.458 -170.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 36.3 Cg_exo -62.01 153.84 66.09 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 N-CA-C 108.255 -1.479 . . . . 0.0 108.255 160.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.63 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 3.7 t-80 -75.91 -160.9 0.15 Allowed 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.64 -173.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.503 ' H ' ' CG ' ' A' ' 38' ' ' HIS . 31.3 mm -87.31 136.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 121.745 -0.597 . . . . 0.0 111.554 -164.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.531 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 36.9 p90 -72.52 134.14 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.238 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.544 HG23 ' HD3' ' A' ' 49' ' ' LYS . 82.3 mt -116.78 87.6 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.988 0.899 . . . . 0.0 110.349 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.72 134.11 34.01 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.642 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.9 mtp -99.08 21.52 11.63 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.542 0.687 . . . . 0.0 110.481 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.06 -2.92 68.32 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 172.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -102.97 -31.74 10.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.271 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.5 153.8 34.19 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.72 -21.97 37.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.322 0.582 . . . . 0.0 110.226 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB3' ' HG3' ' A' ' 59' ' ' ARG . 7.4 pt-20 -134.92 109.03 8.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.433 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HD3' HG23 ' A' ' 41' ' ' ILE . 50.5 tttt -117.49 119.01 33.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.154 0.502 . . . . 0.0 110.451 -175.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 14.1 tt -84.97 153.74 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.841 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.429 ' HB2' HD11 ' A' ' 41' ' ' ILE . 49.4 t -93.53 105.7 17.39 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 50' ' ' ILE . 27.1 Cg_exo -62.3 141.06 86.17 Favored 'Trans proline' 0 CA--C 1.519 -0.228 0 C-N-CA 122.864 2.376 . . . . 0.0 111.549 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 68.26 20.93 8.64 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.593 0.558 . . . . 0.0 110.921 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 55.9 m -142.12 -53.72 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.966 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.583 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 45.5 m 70.95 101.05 0.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.882 0.738 . . . . 0.0 109.871 -171.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 12' ' ' ASP . 1.5 m -164.85 32.69 0.06 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -171.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 3.2 tt -36.04 102.97 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.123 -1.398 . . . . 0.0 112.101 -164.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.604 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 95.5 m-85 -84.67 113.71 21.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.299 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 48' ' ' GLU . 12.7 ttp180 -114.22 139.84 49.06 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.916 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -89.95 137.54 32.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.319 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -135.05 132.11 20.13 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.969 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.34 -22.29 74.18 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.344 2.696 . . . . 0.0 113.71 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.0 t -79.59 -16.61 55.55 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.232 0.539 . . . . 0.0 110.252 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.4 mt -90.43 166.24 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.713 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.5 m -151.59 -179.3 7.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -175.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.536 ' CD2' HG12 ' A' ' 22' ' ' VAL . 55.5 m-85 -76.4 -19.37 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -80.54 -4.7 54.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 0.0 111.23 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -144.78 -169.03 3.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.743 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 70' ' ' ASN . 4.6 t -153.08 -66.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.938 176.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.514 ' H ' HG23 ' A' ' 69' ' ' THR . 3.8 p-10 -145.96 166.91 15.52 Favored Pre-proline 0 C--N 1.31 -1.124 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 -170.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.29 119.75 7.0 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.862 2.375 . . . . 0.0 110.752 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.1 m 68.4 82.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -167.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.94 130.1 50.33 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.063 -0.971 . . . . 0.0 113.727 -173.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.496 ' HB2' ' HB2' ' A' ' 10' ' ' GLN . 7.0 p -104.62 91.82 4.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.697 0.76 . . . . 0.0 109.551 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mt -133.09 132.37 41.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.209 -174.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -102.92 94.34 5.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.018 0.437 . . . . 0.0 111.531 -177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -110.79 125.43 30.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.522 171.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.08 115.24 2.5 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.063 2.509 . . . . 0.0 112.476 -177.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -90.15 129.16 36.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.563 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD11 ' NE2' ' A' ' 84' ' ' HIS . 41.9 tp -64.96 119.96 11.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.496 -178.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.75 -163.72 1.07 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.075 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -119.36 8.85 11.47 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -169.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 75.4 m-70 -106.91 -50.01 3.18 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.954 -0.466 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.435 ' NE2' HD11 ' A' ' 80' ' ' LEU . 44.6 m80 66.97 178.19 0.23 Allowed 'General case' 0 C--N 1.332 -0.165 0 O-C-N 123.949 0.781 . . . . 0.0 110.386 -173.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -96.24 149.95 21.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -68.27 -21.34 64.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.866 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.989 175.866 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.99 89.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.042 0.449 . . . . 0.0 110.635 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -83.71 122.48 28.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.949 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -89.81 122.32 32.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.361 0.6 . . . . 0.0 111.78 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -148.4 145.02 27.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.6 mt -71.87 120.69 81.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.49 133.38 31.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.19 2.593 . . . . 0.0 112.258 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -90.29 97.58 11.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.796 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 74' ' ' CYS . 45.4 m-85 -111.15 159.05 18.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.552 177.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 74' ' ' CYS . 11.7 pt20 -113.21 168.04 10.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -97.83 115.21 27.61 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' OD2' ' HG ' ' A' ' 13' ' ' LEU . 4.6 p-10 -54.62 -68.57 0.17 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.448 0.468 . . . . 0.0 111.536 -170.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' HG ' ' OD2' ' A' ' 12' ' ' ASP . 2.6 pp -121.36 -12.12 8.66 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 166.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.47 57.3 0.67 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.819 -172.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.47 ' O ' ' HA ' ' A' ' 56' ' ' THR . 33.9 t80 -64.79 140.34 58.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.33 . . . . 0.0 110.255 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -63.22 -41.49 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.371 -168.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.4 mt -127.02 110.67 23.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.7 mt -117.1 123.05 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.724 0.773 . . . . 0.0 112.447 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.666 ' HG2' ' HB3' ' A' ' 59' ' ' ARG . 42.0 mt-10 -91.25 139.44 30.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.884 177.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.484 HD12 HG23 ' A' ' 22' ' ' VAL . 16.1 pt -134.67 155.75 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.755 0.312 . . . . 0.0 111.42 -173.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.95 -10.67 68.96 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.27 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.484 HG23 HD12 ' A' ' 20' ' ' ILE . 19.1 m -95.32 151.73 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 122.728 -0.277 . . . . 0.0 110.364 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HZ1' ' HA2' ' A' ' 44' ' ' GLY . 56.1 tttm -92.89 -58.55 2.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.849 0.357 . . . . 0.0 110.77 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -95.86 122.17 38.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -129.78 161.01 31.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 -171.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 ttt -146.99 135.12 21.56 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.68 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 65.4 m -74.32 126.31 30.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.1 t -50.46 -48.33 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.584 0.553 . . . . 0.0 111.449 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.06 -146.77 11.34 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.366 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.63 177.61 3.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -72.08 -36.48 69.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.443 0.64 . . . . 0.0 109.455 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -130.15 84.04 61.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.302 173.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 96.1 Cg_endo -97.84 -162.5 0.06 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 123.705 2.937 . . . . 0.0 113.109 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -109.7 122.3 47.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.983 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 70.55 -74.02 0.09 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.804 0.69 . . . . 0.0 110.293 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.784 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 71.3 m80 -147.25 -55.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.278 177.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.784 ' HD3' ' HB2' ' A' ' 36' ' ' HIS . 73.5 Cg_endo -100.8 -144.97 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.028 2.486 . . . . 0.0 111.15 174.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.68 ' HB3' ' HB2' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -109.49 -169.19 1.43 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.032 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 tp -87.84 151.3 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.015 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -73.39 120.74 19.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.894 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.4 mt -98.86 86.27 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.32 0.581 . . . . 0.0 110.526 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.52 131.83 38.39 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.424 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.668 ' HB2' ' O ' ' A' ' 46' ' ' THR . 23.7 ptt? -137.31 58.63 1.7 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.879 0.847 . . . . 0.0 110.058 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.64 ' HA2' ' HZ1' ' A' ' 23' ' ' LYS . . . -67.64 -25.39 73.98 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.888 175.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 p -78.42 -77.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.045 0.45 . . . . 0.0 111.111 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.668 ' O ' ' HB2' ' A' ' 43' ' ' MET . 23.6 m -98.57 131.99 44.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.822 178.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.416 ' OD1' ' HE2' ' A' ' 23' ' ' LYS . 10.5 m-20 -80.65 13.54 2.51 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.238 0.542 . . . . 0.0 111.506 -175.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.436 ' H ' HG22 ' A' ' 46' ' ' THR . 41.4 mt-10 -133.39 109.16 9.14 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 176.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -143.07 153.42 42.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 110.481 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.817 HD11 ' HA ' ' A' ' 55' ' ' SER . 14.2 tt -116.2 156.83 17.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.493 -176.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.584 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 34.4 t -93.33 105.68 16.83 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 172.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.03 -55.74 2.63 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.903 3.069 . . . . 0.0 113.418 -170.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -90.72 56.58 3.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.433 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 16.4 m -157.98 -51.68 0.07 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.74 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.817 ' HA ' HD11 ' A' ' 50' ' ' ILE . 14.3 t 65.45 89.43 0.1 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -168.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 11.6 m -169.01 56.38 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 -166.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.5 tp -51.01 106.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.543 -170.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 89.8 m-85 -81.23 116.94 21.35 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.1 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.666 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . 20.0 ttt180 -114.37 114.93 26.55 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.734 -174.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -107.15 108.16 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.097 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 16.0 t70 -129.41 138.99 34.36 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.781 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 76.9 Cg_exo -52.32 -18.9 8.53 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.632 2.888 . . . . 0.0 114.683 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -74.64 -22.66 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.946 0.403 . . . . 0.0 110.735 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 19' ' ' GLU . 74.6 mt -80.85 131.82 35.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.769 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -84.03 157.48 21.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -68.61 -29.86 68.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -85.1 6.25 26.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.668 175.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -118.17 163.15 17.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.655 HG21 ' SG ' ' A' ' 74' ' ' CYS . 11.0 t -161.01 -143.44 0.09 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.743 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.405 ' HB3' HG23 ' A' ' 18' ' ' ILE . 8.9 t30 -100.4 140.12 21.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -175.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.63 127.99 26.5 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.175 2.583 . . . . 0.0 112.745 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 p 51.5 81.14 0.08 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.182 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 12' ' ' ASP . . . 178.94 -170.54 42.39 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.236 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.655 ' SG ' HG21 ' A' ' 69' ' ' THR . 14.5 p 50.91 -160.51 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.365 1.066 . . . . 0.0 111.658 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.6 OUTLIER 68.86 89.48 0.1 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.452 173.373 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -81.24 128.31 33.66 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.11 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 92.1 m-20 -95.36 111.59 55.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.18 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 7.0 Cg_exo -73.19 123.75 9.01 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.743 2.295 . . . . 0.0 111.347 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.505 ' H ' ' HD2' ' A' ' 79' ' ' LYS . 1.7 mptp? -87.44 -178.76 6.23 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -176.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -77.71 59.92 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 172.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 139.69 57.45 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.243 0.544 . . . . 0.0 110.631 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -142.84 97.82 3.17 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.647 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -76.57 -53.19 8.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -139.97 -68.59 0.42 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.768 171.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -88.45 -72.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 169.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -123.11 -59.1 1.6 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 166.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 . . . . . 0 C--O 1.242 0.699 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.853 171.19 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.029 0.442 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.28 76.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.341 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -166.34 112.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -109.73 12.48 24.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.975 0.417 . . . . 0.0 111.066 -173.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -98.18 120.49 38.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.815 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 18.9 pt -71.09 142.82 87.89 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.875 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 52.4 Cg_exo -53.3 125.2 17.68 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.079 2.52 . . . . 0.0 112.403 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -94.38 136.77 34.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.949 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -121.65 147.95 45.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.596 0.236 . . . . 0.0 110.976 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.669 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 4.1 pt20 -113.2 172.78 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.464 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -129.55 128.22 42.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.196 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.65 -49.1 11.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.333 0.587 . . . . 0.0 109.572 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.665 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.0 pt? -120.68 -27.69 5.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.685 177.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.6 104.67 2.57 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -175.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -85.14 153.12 22.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 10.2 tppt? -91.87 -37.89 12.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.931 0.395 . . . . 0.0 111.297 -175.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 57' ' ' LEU . 76.1 mt -129.75 110.7 20.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.73 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 15.9 mt -103.47 118.62 50.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.688 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -93.33 139.68 30.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.551 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.1 pt -138.45 155.08 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.656 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -90.93 -6.54 67.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.448 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 24' ' ' GLU . 9.3 p -104.57 143.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 50.5 mtpt -96.79 -1.77 45.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 0.0 111.932 -173.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' H ' HG22 ' A' ' 22' ' ' VAL . 6.5 mp0 -128.1 110.89 12.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.211 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 87.5 t80 -154.18 136.9 15.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.221 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.474 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 26.7 ttt -101.6 137.11 40.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.665 0.269 . . . . 0.0 110.3 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.612 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 8.4 t -64.72 120.16 11.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -92.15 -82.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.027 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.22 126.23 3.01 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.064 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.51 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . . . -140.65 -67.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.4 m -105.65 83.64 1.96 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.94 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 67.63 158.53 0.14 Allowed Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.302 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.18 145.15 24.13 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.772 2.315 . . . . 0.0 111.421 173.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -101.57 30.91 4.02 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.6 t70 71.16 -56.6 0.62 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.72 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.663 ' HB2' ' HD2' ' A' ' 37' ' ' PRO . 13.0 p80 -112.72 172.48 3.5 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 174.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.663 ' HD2' ' HB2' ' A' ' 36' ' ' HIS . 1.1 Cg_endo -45.11 147.4 2.18 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.825 2.35 . . . . 0.0 112.236 175.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 8.4 m-70 -78.85 -145.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.16 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.465 ' H ' ' HB3' ' A' ' 38' ' ' HIS . 25.4 mm -102.38 146.21 10.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.194 -175.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.474 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 29.6 p90 -89.39 145.94 25.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.168 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.582 ' HB ' ' O ' ' A' ' 25' ' ' PHE . 2.0 mp -114.55 111.92 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.295 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -115.89 115.69 26.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.267 173.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.644 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 66.2 mtt -85.38 67.07 10.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.277 0.561 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.26 -50.7 3.35 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.724 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -80.08 -57.7 3.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.936 0.398 . . . . 0.0 111.06 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.3 p -107.26 175.2 5.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.985 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -100.41 4.89 44.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 109.315 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -134.17 130.82 37.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.318 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HB2' HG23 ' A' ' 41' ' ' ILE . 56.7 mmtt -138.93 156.94 46.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.817 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 tt -132.55 150.34 33.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.225 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.6 t -93.64 112.29 56.15 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -49.67 -45.11 33.0 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.731 2.287 . . . . 0.0 111.098 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -91.52 78.04 5.66 Favored 'General case' 0 C--O 1.252 1.209 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.786 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.529 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 5.3 m 159.84 -44.22 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.974 1.422 . . . . 0.0 112.059 172.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.8 p 51.13 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.87 0.843 . . . . 0.0 109.897 -165.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.529 ' OG1' ' HB3' ' A' ' 54' ' ' CYS . 3.4 m -158.55 46.12 0.31 Allowed 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 -169.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.403 ' HB3' HG23 ' A' ' 17' ' ' ILE . 5.3 tt -41.78 112.84 0.36 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.365 -164.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.73 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 83.7 m-85 -83.85 105.95 15.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.35 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -115.99 129.12 56.23 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.001 -174.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -92.82 131.56 37.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.929 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 20.6 t70 -124.4 137.13 28.67 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 36.5 Cg_exo -61.16 -8.71 10.68 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 122.956 2.438 . . . . 0.0 113.934 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -88.59 -17.36 30.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.251 0.548 . . . . 0.0 109.768 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.2 mt -92.32 122.62 34.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.914 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.467 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 15.5 m -82.91 170.6 14.77 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 174.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -64.38 -23.96 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.081 0.467 . . . . 0.0 111.212 -175.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -87.59 -2.3 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.342 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -106.79 168.86 8.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.149 0.499 . . . . 0.0 111.283 -174.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -161.3 -150.05 0.19 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.836 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.895 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 24.5 p-10 -100.69 174.6 2.85 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-O 119.236 -0.411 . . . . 0.0 110.126 -177.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.895 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 5.9 Cg_exo -37.52 150.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 124.751 3.634 . . . . 0.0 115.304 -177.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 m -59.43 141.51 54.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.657 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 137.14 -14.09 3.79 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 -176.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.422 ' HB2' ' H ' ' A' ' 75' ' ' LEU . 6.1 p -100.07 -147.8 0.35 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.681 -0.76 . . . . 0.0 110.405 177.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' H ' ' HB2' ' A' ' 74' ' ' CYS . 2.7 mm? 67.82 96.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.401 0.619 . . . . 0.0 110.79 -173.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.669 ' HD1' ' HB3' ' A' ' 10' ' ' GLN . 49.9 t80 -85.66 89.08 7.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.775 -174.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.781 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 35.9 m-80 -81.75 148.58 61.88 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 171.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -29.93 -60.29 0.13 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 124.506 3.471 . . . . 0.0 113.756 -174.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -140.62 59.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.215 0.531 . . . . 0.0 110.411 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.781 ' HB2' ' HB2' ' A' ' 77' ' ' ASN . 57.4 tp -84.3 95.57 8.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.341 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.45 169.99 17.22 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.553 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -89.26 140.58 29.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.849 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.61 128.89 36.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.073 0.463 . . . . 0.0 111.168 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -111.46 -74.72 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.129 -178.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -93.53 155.94 17.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.747 -175.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -117.78 138.91 51.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -175.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.343 173.283 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.97 0.414 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.04 134.11 53.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.737 0.303 . . . . 0.0 110.888 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -112.43 124.67 53.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.939 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -101.76 102.6 13.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.228 0.537 . . . . 0.0 110.704 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -117.34 -148.95 0.43 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.607 178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 26.8 pt -71.43 146.4 91.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.115 0.483 . . . . 0.0 110.842 -177.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 21.2 Cg_exo -65.59 128.61 20.48 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.099 2.532 . . . . 0.0 113.269 -175.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -92.51 159.79 15.35 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -123.6 146.66 48.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.417 0.627 . . . . 0.0 112.138 -173.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.544 ' HG2' ' H ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -123.58 147.17 47.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.638 -179.095 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -131.88 123.67 27.96 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.155 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -84.59 -67.44 0.8 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.28 0.562 . . . . 0.0 110.067 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.882 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.9 pt? -87.92 -5.61 58.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.607 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.0 147.29 21.92 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.614 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.434 ' HB2' HD11 ' A' ' 18' ' ' ILE . 91.1 m-85 -140.81 121.14 13.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -80.68 -25.82 37.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.437 -175.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 57' ' ' LEU . 72.8 mt -134.55 110.69 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.829 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 24.8 mt -116.43 129.92 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.523 0.678 . . . . 0.0 111.875 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.65 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 40.0 mt-10 -91.33 151.41 20.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.956 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 pt -145.05 153.64 14.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.37 . . . . 0.0 111.05 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.99 36.37 4.41 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.191 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.1 m -134.44 147.69 29.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.587 0.232 . . . . 0.0 110.464 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -95.2 -21.57 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 110.584 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -126.09 120.85 31.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.945 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.54 173.23 16.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.95 0.405 . . . . 0.0 110.494 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.574 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 22.7 ttt -140.66 144.34 35.63 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 38' ' ' HIS . 52.7 t -61.92 149.9 39.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -47.06 126.51 2.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 O-C-N 123.729 0.643 . . . . 0.0 112.541 -172.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.34 -179.29 29.83 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.767 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.03 166.22 10.92 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -74.27 78.14 1.83 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.398 0.618 . . . . 0.0 110.344 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 79.0 mt-30 -142.77 163.81 36.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.034 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 32' ' ' GLN . 88.2 Cg_exo -46.08 137.86 13.13 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.05 2.5 . . . . 0.0 113.281 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.04 117.82 4.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.183 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -170.4 -72.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.645 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 59.1 m170 -91.9 -48.7 0.32 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.85 170.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.645 ' HD3' ' HB2' ' A' ' 36' ' ' HIS . 15.7 Cg_exo -69.96 152.31 68.24 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.831 1.687 . . . . 0.0 110.564 169.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.559 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 22.4 m170 -102.16 -156.64 0.57 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.194 -178.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.428 ' H ' ' HB3' ' A' ' 38' ' ' HIS . 16.8 tt -102.36 160.53 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.762 -169.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.574 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 49.5 t80 -84.3 140.9 31.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.918 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 51' ' ' CYS . 72.3 mt -127.64 127.42 68.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 0.0 111.058 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 3.3 p30 -99.93 152.84 19.7 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.6 tpp -111.93 20.86 16.56 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.462 0.649 . . . . 0.0 109.397 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.86 58.56 1.8 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.428 -176.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 t -163.89 -83.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 p -86.95 171.46 10.76 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -81.58 -31.06 32.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.938 0.399 . . . . 0.0 110.521 -175.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -125.08 136.07 53.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 42' ' ' ASP . 31.4 mmtp -125.65 139.29 53.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.055 178.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.9 tt -102.4 162.9 3.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.668 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 5.5 t -93.94 117.92 67.24 Favored Pre-proline 0 CA--C 1.511 -0.537 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.72 110.99 0.6 Allowed 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 121.952 1.768 . . . . 0.0 109.348 168.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 69.9 92.12 0.09 Allowed 'General case' 0 C--O 1.247 0.973 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.145 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.564 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 2.6 m 159.35 -51.51 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.326 1.45 . . . . 0.0 110.623 173.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 m 63.94 94.27 0.05 Allowed 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.812 0.695 . . . . 0.0 109.33 -169.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 m -159.36 32.79 0.2 Allowed 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 -168.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.442 ' HB3' HG12 ' A' ' 17' ' ' ILE . 48.2 tp -25.67 107.31 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.702 -1.59 . . . . 0.0 112.787 -170.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.829 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 93.1 m-85 -86.81 130.74 34.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.713 -174.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.65 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 6.7 mtt85 -117.71 139.26 51.28 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.649 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -117.17 138.21 51.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.95 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 14.0 t70 -141.1 139.48 19.36 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -57.04 -26.94 71.38 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 123.043 2.496 . . . . 0.0 113.321 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.5 m -80.47 -11.02 59.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 97.3 mt -87.44 104.28 16.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 109.867 177.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -77.11 171.04 15.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.399 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -56.84 -32.74 66.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.959 0.409 . . . . 0.0 111.178 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -90.31 9.29 29.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.4 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -128.99 116.81 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.767 0.318 . . . . 0.0 110.165 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.601 HG23 ' H ' ' A' ' 70' ' ' ASN . 4.5 t -106.02 -67.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.702 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.601 ' H ' HG23 ' A' ' 69' ' ' THR . 30.4 p-10 -151.76 153.59 31.96 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-O 120.964 0.412 . . . . 0.0 110.312 -171.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 11.1 Cg_endo -90.47 107.22 0.34 Allowed 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.928 2.418 . . . . 0.0 111.778 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER 166.4 -67.39 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.606 1.162 . . . . 0.0 109.24 179.09 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.79 102.92 0.7 Allowed Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.765 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.5 m -135.03 -94.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.905 -0.174 . . . . 0.0 110.734 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' GLN . 9.4 mt 61.58 -166.65 0.21 Allowed 'General case' 0 C--O 1.204 -1.325 0 C-N-CA 122.756 0.422 . . . . 0.0 110.261 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -107.25 82.49 1.68 Allowed 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 166.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.544 ' H ' ' HG2' ' A' ' 10' ' ' GLN . 4.7 t-20 -98.12 140.62 22.01 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.306 -171.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 23.9 Cg_exo -63.84 87.46 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.974 2.449 . . . . 0.0 113.318 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -98.7 -2.96 36.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.642 170.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.0 mt -131.09 113.23 13.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.179 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -68.31 100.89 1.11 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -67.96 114.81 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -71.29 171.09 11.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.19 -174.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -77.45 94.57 4.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.935 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -79.24 63.21 3.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 60.05 66.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.156 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.1 t60 . . . . . 0 C--O 1.247 0.937 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.174 179.535 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.6 mtm . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.08 65.78 1.15 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.85 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -127.57 140.57 52.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.297 -172.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -138.02 148.82 45.49 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 169.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -136.66 -177.89 4.94 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.842 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.417 HG21 ' HA ' ' A' ' 25' ' ' PHE . 48.7 mm -71.47 132.93 85.31 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.048 -177.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.75 123.93 6.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.518 2.812 . . . . 0.0 112.767 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -114.41 127.87 56.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.932 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.476 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 42.1 p90 -102.27 -175.34 2.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.709 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.622 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 12.0 pt20 -128.76 114.9 17.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.878 0.371 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -121.77 92.91 3.84 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.972 0.415 . . . . 0.0 110.076 176.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -88.93 1.64 55.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.394 0.616 . . . . 0.0 110.212 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.3 mm? -91.63 21.95 4.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.515 -170.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.82 141.03 3.37 Favored Glycine 0 N--CA 1.454 -0.13 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.888 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -102.94 132.11 49.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.571 -0.37 . . . . 0.0 110.602 -176.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HG2' ' H ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -160.1 -52.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.26 0.552 . . . . 0.0 110.462 174.712 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 57' ' ' LEU . 70.7 mt -141.89 110.59 2.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.809 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 41.1 mt -123.23 127.82 74.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 119.614 -0.834 . . . . 0.0 112.163 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.679 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 35.2 mt-10 -91.52 154.32 19.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.757 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 69' ' ' THR . 15.1 pt -146.73 163.44 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.179 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.23 16.8 38.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.412 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.34 167.26 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 122.759 -0.259 . . . . 0.0 110.727 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 58.1 mttp -106.48 4.15 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.233 0.54 . . . . 0.0 110.603 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -127.37 127.71 44.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.418 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CE2' ' HB ' ' A' ' 41' ' ' ILE . 43.9 p90 -156.95 166.27 33.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.258 0.551 . . . . 0.0 111.685 -175.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.2 ttt -143.72 146.02 32.86 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 38' ' ' HIS . 75.0 m -50.86 118.5 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.9 t -85.36 81.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 167.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.44 123.73 0.69 Allowed Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.505 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.78 22.42 7.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.948 0.404 . . . . 0.0 111.207 -175.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 p -69.6 89.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 62.16 86.79 0.14 Allowed Pre-proline 0 C--O 1.234 0.282 0 CA-C-O 121.467 0.651 . . . . 0.0 110.392 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -86.9 171.25 6.99 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.274 2.649 . . . . 0.0 112.927 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.529 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 88.7 m-85 -128.12 86.17 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' A' ' 34' ' ' PHE . 15.7 t70 71.2 -65.03 0.36 Allowed 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.771 0.67 . . . . 0.0 110.078 -171.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.502 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 14.7 m80 -109.43 177.43 1.25 Allowed Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 71.9 Cg_exo -51.25 91.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.404 2.069 . . . . 0.0 112.914 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.529 ' HA ' ' HD2' ' A' ' 34' ' ' PHE . 24.9 m170 54.96 -113.14 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.003 -174.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.05 149.89 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.85 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -82.54 130.26 35.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.581 ' HB ' ' CE2' ' A' ' 25' ' ' PHE . 58.6 mt -119.07 127.64 75.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.988 0.423 . . . . 0.0 111.345 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -94.82 144.12 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.217 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.447 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 41.9 mtt -81.55 88.68 6.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.968 0.413 . . . . 0.0 111.75 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.96 43.48 3.23 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 170.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.8 m -143.51 -175.31 4.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.416 -0.392 . . . . 0.0 109.962 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.6 p -77.23 -75.33 0.21 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -137.64 6.19 2.7 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.079 -175.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HB2' HD21 ' A' ' 57' ' ' LEU . 11.2 pt-20 -148.97 140.16 23.11 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.62 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -158.23 132.95 8.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.311 174.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.497 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 14.2 tt -111.43 151.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.853 0.358 . . . . 0.0 110.961 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.0 t -93.64 110.7 48.8 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.8 -45.71 38.76 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.83 2.353 . . . . 0.0 110.82 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -79.42 71.54 5.99 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.146 172.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m 171.99 -63.28 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.536 0.734 . . . . 0.0 111.845 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.438 ' HA ' HD11 ' A' ' 50' ' ' ILE . 22.7 t 68.86 88.8 0.11 Allowed 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 -160.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.0 m -173.61 63.72 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 -165.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' HB3' HG23 ' A' ' 17' ' ' ILE . 2.5 tt -59.92 106.61 0.51 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.642 -173.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.809 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 67.2 m-85 -80.05 107.28 12.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 123.662 0.602 . . . . 0.0 110.266 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.679 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 79.7 mtt-85 -101.44 123.17 45.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.047 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 20' ' ' ILE . 17.8 t80 -104.12 101.97 11.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.394 174.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 13.4 t70 -94.6 137.99 22.4 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.008 -177.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.95 -23.18 50.16 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.857 2.371 . . . . 0.0 113.349 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -76.08 -27.44 57.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.202 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 96.1 mt -76.4 141.9 41.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.27 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -98.29 163.0 12.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.574 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -72.29 -2.92 20.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.07 -174.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -102.89 0.12 31.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.596 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.33 170.33 10.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.0 0.428 . . . . 0.0 110.33 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 70' ' ' ASN . 1.5 t -128.92 -70.65 0.66 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.9 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 9.4 p30 -144.16 171.55 6.63 Favored Pre-proline 0 C--N 1.307 -1.259 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -174.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.9 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 25.8 Cg_endo -61.43 175.76 1.44 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.152 2.568 . . . . 0.0 113.62 -174.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.6 m 76.19 -67.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.273 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.7 48.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.151 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.604 ' HB3' ' O ' ' A' ' 10' ' ' GLN . 56.5 m -79.65 85.29 5.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.795 0.331 . . . . 0.0 110.733 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -131.33 120.22 22.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.622 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 24.0 t80 -92.01 114.66 27.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.232 0.539 . . . . 0.0 111.344 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -116.1 103.56 53.14 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.037 174.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -58.29 -41.87 62.06 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.984 2.456 . . . . 0.0 112.598 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -146.97 146.81 30.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.777 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.5 pt? -90.87 -10.55 42.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -166.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -86.02 70.84 10.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.546 0.689 . . . . 0.0 112.421 -172.532 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -57.96 -45.14 87.14 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -95.15 108.73 20.86 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 166.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 81' ' ' GLU . 54.4 m-70 -72.33 116.75 13.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.187 -172.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -61.41 114.27 3.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -111.79 169.55 8.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.624 -169.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.733 177.588 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.596 -0.15 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 176.19 -70.6 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 122.984 0.514 . . . . 0.0 109.784 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -91.54 136.3 33.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.175 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -104.55 29.45 6.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.022 0.439 . . . . 0.0 110.621 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -64.16 -39.11 93.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.361 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.3 pt -74.53 145.98 83.02 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.022 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.34 130.63 29.53 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.389 2.726 . . . . 0.0 113.099 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -122.48 143.4 49.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.941 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -120.77 -174.54 2.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.261 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 1.6 pp0? -137.34 121.87 18.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -129.97 93.64 3.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.028 0.442 . . . . 0.0 110.476 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -89.01 -60.51 1.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.643 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.5 pt? -71.45 -34.02 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.762 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.74 -87.88 0.32 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.536 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 68.71 86.73 0.13 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -79.48 6.21 10.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -168.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.4 mt -140.5 110.42 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 170.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 32.2 mt -107.84 131.12 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.435 ' HB3' HD11 ' A' ' 64' ' ' LEU . 42.2 mt-10 -95.31 126.62 40.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.182 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.475 HG23 HG22 ' A' ' 18' ' ' ILE . 16.7 pt -143.68 166.73 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.051 0.453 . . . . 0.0 111.918 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.52 23.85 8.81 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.723 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.74 168.48 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -118.39 -50.75 2.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -100.68 125.75 47.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.112 0.482 . . . . 0.0 110.644 -178.803 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -166.99 -172.41 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.892 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.4 ttt -130.88 127.54 38.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.901 0.381 . . . . 0.0 110.528 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.94 137.17 58.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.355 175.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.9 t -115.5 142.07 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.52 147.43 4.61 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.506 -0.855 . . . . 0.0 112.34 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.6 155.82 19.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.795 0.331 . . . . 0.0 110.661 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 m -153.29 -83.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.772 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 44.6 mt-30 -139.31 -58.05 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.957 177.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.772 ' HD3' ' HB2' ' A' ' 32' ' ' GLN . 5.9 Cg_exo -79.76 -58.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.116 1.877 . . . . 0.0 112.368 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' HB2' ' HD2' ' A' ' 38' ' ' HIS . 83.2 m-85 -79.54 133.68 36.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.932 -176.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.21 -61.5 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.697 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.748 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 98.2 m-70 -136.13 -51.97 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.616 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.748 ' HD2' ' H ' ' A' ' 36' ' ' HIS . 26.6 Cg_endo -64.07 107.91 0.86 Allowed 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 121.635 1.557 . . . . 0.0 110.279 170.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.466 ' HE1' ' O ' ' A' ' 53' ' ' TYR . 1.6 t-80 -95.72 -84.97 0.33 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -166.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.0 mm -132.14 133.4 60.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 -171.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.27 120.23 18.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.779 0.323 . . . . 0.0 110.38 176.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm -115.36 134.85 57.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.745 0.307 . . . . 0.0 110.188 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.71 153.74 51.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.482 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.413 ' HE1' HD11 ' A' ' 20' ' ' ILE . 61.1 mtt -129.04 118.56 22.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.757 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.04 -60.41 0.48 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.8 175.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.9 p -121.73 8.74 10.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.0 110.988 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.608 HG21 ' HE3' ' A' ' 49' ' ' LYS . 23.6 p -97.9 132.2 43.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.46 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.11 -30.88 49.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.688 0.756 . . . . 0.0 109.393 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HB2' HD21 ' A' ' 57' ' ' LEU . 9.6 pt-20 -134.14 127.93 33.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.559 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HE3' HG21 ' A' ' 46' ' ' THR . 15.2 mmtp -120.06 110.42 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.328 175.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.8 tt -92.04 156.5 3.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 54' ' ' CYS . 46.1 t -93.95 100.96 5.37 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 10.2 Cg_endo -52.94 -38.46 79.44 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.244 2.629 . . . . 0.0 111.57 -174.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.466 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 27.9 t80 -96.23 71.76 2.82 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.824 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 1.2 m 165.71 -60.25 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.82 0.848 . . . . 0.0 111.745 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 72.5 m 71.0 104.47 0.06 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.733 -160.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.466 ' OG1' ' HB3' ' A' ' 54' ' ' CYS . 1.1 m -165.6 33.0 0.05 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 -171.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 6.5 tt -36.24 101.79 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 113.581 -1.645 . . . . 0.0 112.257 -164.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.615 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 33.2 m-85 -86.78 105.02 16.7 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.075 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -104.64 129.07 52.83 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.723 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -91.2 94.68 9.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.38 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.547 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 14.5 t70 -93.96 136.82 23.37 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.041 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.45 -19.23 63.58 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.017 2.478 . . . . 0.0 113.254 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 t -84.64 -12.94 52.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 0.0 110.216 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.547 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 82.4 mt -88.5 173.56 8.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.5 m -150.95 -169.89 3.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.888 0.375 . . . . 0.0 111.173 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -82.95 -35.42 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.746 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -81.72 -33.57 31.04 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.079 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -111.86 122.69 48.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.606 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 70' ' ' ASN . 5.1 t -117.74 -120.22 0.31 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.744 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.608 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 7.6 p30 -100.35 164.06 17.03 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.465 0.306 . . . . 0.0 110.325 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.608 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 20.2 Cg_endo -60.94 164.29 14.42 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.169 2.58 . . . . 0.0 112.406 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.6 m 72.03 -68.35 0.22 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.365 -175.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 134.57 59.11 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.636 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.484 ' HB3' HD21 ' A' ' 70' ' ' ASN . 52.4 t -76.14 85.32 2.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.245 0.545 . . . . 0.0 109.837 176.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 3.0 pp -152.36 147.53 26.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.466 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -86.2 94.08 9.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.086 0.469 . . . . 0.0 110.931 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -137.2 110.32 9.07 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.458 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -84.62 8.32 4.69 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.014 2.476 . . . . 0.0 113.995 -173.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -131.59 149.47 52.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.015 0.436 . . . . 0.0 111.137 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 mt -116.68 128.16 55.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.11 124.12 24.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.791 -173.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -71.92 81.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 171.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -167.63 -22.98 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.744 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -71.46 79.65 0.78 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 110.82 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.6 t60 170.64 -50.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 155.85 -35.23 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.064 -1.88 . . . . 0.0 106.963 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.243 0.741 0 CA-C-N 113.864 -1.516 . . . . 0.0 108.409 171.704 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.834 0.35 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.58 78.87 9.09 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -128.53 165.63 20.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.159 -175.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -87.89 102.32 14.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.064 0.459 . . . . 0.0 109.987 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -84.15 -175.72 5.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 pt -71.26 143.1 87.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.476 ' HG2' HG21 ' A' ' 22' ' ' VAL . 74.9 Cg_exo -50.93 108.7 0.25 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.323 2.682 . . . . 0.0 113.147 -176.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -100.91 115.87 31.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.637 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.498 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 40.0 m-85 -102.26 177.14 4.96 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.966 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -133.93 147.09 51.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.165 -172.526 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -130.47 92.91 3.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.905 0.86 . . . . 0.0 109.978 172.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -88.48 -39.22 14.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.083 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 13' ' ' LEU . 2.2 pp -91.92 -0.3 57.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.328 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.68 78.56 0.27 Allowed Glycine 0 CA--C 1.52 0.352 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.928 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.612 ' HB3' HD11 ' A' ' 18' ' ' ILE . 2.8 t80 -86.0 121.71 29.01 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.783 ' HG3' ' HB3' ' A' ' 55' ' ' SER . 3.7 ttmp? -74.34 -33.45 63.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -166.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.7 mt -132.65 111.49 17.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.314 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.667 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 28.6 mm -109.11 124.01 65.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.628 ' HG3' ' HB3' ' A' ' 59' ' ' ARG . 10.7 mp0 -91.54 135.85 33.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 170.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.457 HG23 HG22 ' A' ' 18' ' ' ILE . 14.6 pt -144.43 163.85 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.709 0.29 . . . . 0.0 111.066 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.89 11.49 49.23 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.232 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG21 ' HG2' ' A' ' 7' ' ' PRO . 35.8 t -120.34 143.72 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 60.5 mttp -93.16 -24.24 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.664 0.268 . . . . 0.0 111.455 -176.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.69 116.26 31.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.082 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.498 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 63.5 t80 -140.02 145.6 37.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.016 0.436 . . . . 0.0 110.801 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.485 ' HG2' ' HB3' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -126.57 116.61 21.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 175.416 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 27.2 t -80.53 107.98 13.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.139 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -81.62 -29.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.976 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.87 -105.67 1.93 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.13 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.61 -77.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.036 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 p -99.41 12.34 36.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.628 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.656 ' HG2' ' HA ' ' A' ' 37' ' ' PRO . 77.8 mt-30 60.26 92.52 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.365 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.998 -176.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.68 -13.71 35.27 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.877 2.385 . . . . 0.0 112.708 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -135.66 -171.37 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 20.1 m-20 -70.03 135.61 49.5 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 170.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.604 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 42.5 m80 71.6 165.31 0.13 Allowed Pre-proline 0 CA--C 1.537 0.469 0 O-C-N 123.827 0.704 . . . . 0.0 109.527 -171.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.656 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 5.4 Cg_exo -39.72 -66.41 0.14 Allowed 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.505 2.803 . . . . 0.0 113.22 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.781 ' HE1' ' HB2' ' A' ' 54' ' ' CYS . 10.6 t-160 -173.36 -97.98 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.996 173.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.546 HG21 ' HD2' ' A' ' 52' ' ' PRO . 33.0 mm -146.63 137.55 18.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -171.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.485 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 37.5 p90 -95.91 144.12 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.445 HG23 ' HD3' ' A' ' 49' ' ' LYS . 2.9 mp -120.92 117.69 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.1 0.476 . . . . 0.0 110.143 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -113.39 130.56 56.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.908 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.657 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 65.3 mtt -88.7 90.26 8.33 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.898 0.38 . . . . 0.0 110.552 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.6 -71.1 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.225 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 p -89.55 -5.46 57.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.874 0.369 . . . . 0.0 111.262 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -137.44 151.42 48.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.13 2.28 48.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.331 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 7.9 pt-20 -148.46 119.25 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.57 174.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.445 ' HD3' HG23 ' A' ' 41' ' ' ILE . 71.0 tttt -133.3 138.57 46.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.919 -173.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 13.8 tt -92.91 156.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.546 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 54.0 t -93.66 108.04 31.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.546 ' HD2' HG21 ' A' ' 39' ' ' ILE . 50.1 Cg_exo -53.45 132.54 49.16 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.172 2.581 . . . . 0.0 112.397 -177.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 55.4 59.8 3.72 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.398 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.781 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 1.1 t -169.9 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.979 -173.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.783 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 47.9 m 64.59 97.48 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 O-C-N 123.88 0.737 . . . . 0.0 109.412 -172.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -166.72 35.34 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -170.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 4.5 tt -49.56 113.37 0.81 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.506 -166.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.667 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 69.2 m-85 -86.73 110.61 20.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.667 -174.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.628 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 42.5 ttm-85 -99.99 126.61 46.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.091 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.657 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 65.3 t80 -97.92 134.17 41.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.197 0.522 . . . . 0.0 111.224 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' A' ' 63' ' ' SER . 9.4 t0 -140.71 122.56 9.43 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.347 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.95 -15.33 32.42 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.035 2.49 . . . . 0.0 112.874 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.432 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 37.0 m -82.88 -7.48 59.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 111.034 178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.34 129.07 37.37 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -80.63 160.77 24.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.809 0.338 . . . . 0.0 110.684 -178.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -66.51 -18.35 65.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.096 0.474 . . . . 0.0 110.64 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -90.64 5.89 46.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.683 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -129.83 143.01 50.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.182 0.515 . . . . 0.0 111.478 -174.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -116.93 -138.5 0.36 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.81 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 26.2 p-10 -100.45 -174.17 0.34 Allowed Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.81 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 75.5 Cg_exo -39.34 110.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.26 0 C-N-CA 122.253 1.969 . . . . 0.0 111.537 174.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 m -50.4 98.03 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.17 -165.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.2 14.43 0.85 Allowed Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 114.832 -1.077 . . . . 0.0 110.531 173.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.7 m -152.24 77.66 1.2 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.185 -0.507 . . . . 0.0 109.82 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.02 115.61 11.31 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.434 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 81.7 t80 -110.51 96.66 6.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.225 0.536 . . . . 0.0 111.221 -177.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -137.13 109.58 9.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.368 172.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.22 107.77 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.967 2.445 . . . . 0.0 113.071 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -89.92 -164.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.761 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.28 67.71 3.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.648 0.737 . . . . 0.0 110.117 174.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -101.71 21.59 14.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.282 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -96.07 111.66 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.725 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -81.32 9.46 7.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.338 0.59 . . . . 0.0 110.354 -177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -92.94 -5.39 50.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -80.37 -40.63 26.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.219 0.533 . . . . 0.0 109.864 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -135.6 126.96 28.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.8 p80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.04 -176.778 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.75 27.2 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.59 0.71 . . . . 0.0 110.057 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -118.63 -169.18 1.67 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.858 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -104.18 -6.37 21.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.335 -173.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.544 ' HB3' ' HH ' ' A' ' 66' ' ' TYR . 38.9 t30 64.45 99.84 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.728 0.642 . . . . 0.0 110.374 -173.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.2 mm -85.01 112.89 46.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.521 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -80.79 -178.29 4.31 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.786 2.324 . . . . 0.0 112.642 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 76' ' ' TYR . 37.7 m80 -116.0 138.14 51.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.268 0.556 . . . . 0.0 110.906 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -114.98 -173.9 2.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.785 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -112.44 168.81 9.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.368 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -72.33 147.33 46.41 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -169.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 9.5 p-10 -73.08 -18.41 61.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.076 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.628 ' H ' HD12 ' A' ' 13' ' ' LEU . 5.0 mp -62.17 -30.92 71.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.322 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.75 -36.07 3.58 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.92 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 60.5 m-85 -120.05 104.72 10.37 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -92.69 -3.27 55.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.434 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.5 mt -140.12 110.62 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.809 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 48.1 mm -107.05 124.39 62.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.217 0.532 . . . . 0.0 111.443 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.674 ' HG2' ' HB3' ' A' ' 59' ' ' ARG . 77.5 mt-10 -100.26 136.19 40.53 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.5 pt -150.05 157.89 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 123.036 0.21 . . . . 0.0 110.74 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.79 34.73 5.54 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.053 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.0 t -122.83 148.19 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 57.0 mttm -91.68 -39.21 11.97 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.74 0.305 . . . . 0.0 110.639 -178.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -111.74 127.85 55.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.43 ' HE1' ' SD ' ' A' ' 43' ' ' MET . 50.9 p90 -159.81 -177.56 6.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.98 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.572 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 26.2 ttt -133.11 134.91 44.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.872 0.367 . . . . 0.0 110.357 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.5 t -74.25 134.04 42.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.2 t -76.4 158.7 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.305 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.43 -141.22 4.62 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.923 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.62 -76.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.479 0.18 . . . . 0.0 111.43 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.4 p -85.13 -88.91 0.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.662 0.268 . . . . 0.0 111.235 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -159.54 78.42 2.82 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.125 0.488 . . . . 0.0 111.583 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.34 -56.02 0.17 Allowed 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.257 1.971 . . . . 0.0 110.951 174.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -122.18 -10.7 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.949 174.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -175.51 -68.16 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.439 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.721 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 64.1 m80 -148.61 -51.04 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.414 174.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 36' ' ' HIS . 2.7 Cg_exo -77.43 -173.67 1.89 Allowed 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.098 1.865 . . . . 0.0 111.061 171.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -89.56 -96.87 0.1 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.27 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.1 tt -148.2 155.42 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 37.4 p90 -77.47 134.33 38.37 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.245 0.341 . . . . 0.0 110.616 177.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 61.1 mt -127.97 140.38 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.54 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 5.2 p-10 -134.5 143.06 47.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.0 111.28 179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.513 ' CE ' ' HB3' ' A' ' 49' ' ' LYS . 2.0 mpt? -107.67 125.12 50.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.126 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.09 -77.48 1.05 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.517 170.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -127.82 79.41 1.89 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 173.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 m -137.48 125.59 22.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.365 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.08 -36.81 72.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.127 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HB2' HD21 ' A' ' 57' ' ' LEU . 12.4 pt-20 -156.67 127.84 6.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.943 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.513 ' HB3' ' CE ' ' A' ' 43' ' ' MET . 52.4 tttp -127.43 124.02 37.46 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -176.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 11.3 tt -88.66 154.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.015 0.436 . . . . 0.0 111.453 -173.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.558 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 53.3 t -96.36 103.23 13.29 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 8.7 Cg_endo -50.04 -62.88 0.34 Allowed 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 123.739 2.959 . . . . 0.0 113.825 -171.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -80.69 35.36 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 88.9 m -155.51 -47.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 m 69.66 95.53 0.07 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -164.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.453 HG22 HG12 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -158.32 33.68 0.24 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 -171.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 2.6 tt -37.83 107.92 0.07 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 113.688 -1.596 . . . . 0.0 112.235 -163.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.809 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 94.6 m-85 -85.37 105.84 16.31 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.391 -176.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.674 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . 19.7 ttt180 -94.05 113.92 25.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.383 -177.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -103.7 92.72 4.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.875 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -106.51 138.42 19.73 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.109 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.13 -20.75 14.83 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 123.439 2.76 . . . . 0.0 113.877 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.5 m -73.7 -14.55 61.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.004 0.43 . . . . 0.0 110.604 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.36 -178.53 4.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.954 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.436 ' H ' ' HB2' ' A' ' 68' ' ' GLN . 70.5 m -159.08 -178.1 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.589 -176.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.544 ' HH ' ' HB3' ' A' ' 5' ' ' ASN . 71.0 t80 -61.93 -44.16 97.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.879 -174.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -87.78 -1.16 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.348 0.595 . . . . 0.0 110.689 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.436 ' HB2' ' H ' ' A' ' 65' ' ' SER . 76.5 mt-30 -104.92 116.58 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 t -100.08 -131.44 0.24 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.864 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.536 ' C ' HD22 ' A' ' 70' ' ' ASN . 0.3 OUTLIER -100.66 163.81 17.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 122.314 -0.241 . . . . 0.0 110.926 -174.651 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 74.6 Cg_exo -49.13 126.12 14.74 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.142 2.561 . . . . 0.0 111.659 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 87.7 m 67.94 105.62 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 O-C-N 123.582 0.552 . . . . 0.0 109.759 -170.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.08 97.25 0.1 Allowed Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 113.166 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.64 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 41.4 m -92.0 -94.52 0.14 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER 47.13 -175.36 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.309 1.006 . . . . 0.0 112.221 -177.58 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.517 ' HB3' ' HB3' ' A' ' 8' ' ' HIS . 28.5 t80 -113.05 96.71 6.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.133 0.492 . . . . 0.0 110.302 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -116.08 106.83 48.78 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.371 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -73.47 96.41 0.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.615 2.21 . . . . 0.0 112.757 -176.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -98.61 94.74 6.83 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 173.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.6 mt -90.94 122.59 33.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.232 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 82' ' ' HIS . 0.8 OUTLIER -144.1 -162.55 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 171.277 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.535 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 17.5 p-80 49.19 23.89 0.87 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.052 0.941 . . . . 0.0 111.927 -176.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -98.91 131.66 44.82 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 175.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -151.4 140.32 20.99 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.601 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -90.93 -40.02 11.94 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 170.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -130.27 -44.27 1.14 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.428 -1.26 . . . . 0.0 108.457 165.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.663 -0.684 . . . . 0.0 109.789 173.042 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.17 138.8 42.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.673 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -78.79 116.88 19.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.912 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -70.02 105.14 2.76 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -78.9 154.63 29.56 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.232 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.9 pt -71.36 137.99 83.95 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.003 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.47 126.11 19.79 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.489 2.126 . . . . 0.0 112.66 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -90.68 127.3 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.356 174.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -106.86 172.62 6.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -170.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.562 HE22 ' HD3' ' A' ' 79' ' ' LYS . 3.8 pt20 -162.3 142.7 10.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.946 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -132.28 113.72 13.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.33 -22.36 60.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.257 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.6 mt -86.62 -25.16 25.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.862 0.363 . . . . 0.0 110.977 -175.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.12 -92.51 1.65 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.739 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 68.78 -176.32 0.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.195 0.598 . . . . 0.0 110.65 -176.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' HA ' ' A' ' 56' ' ' THR . 59.2 mttm -128.52 10.49 6.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.37 0.605 . . . . 0.0 110.378 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.7 mt -147.58 110.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.587 173.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.736 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 94.1 mt -107.95 129.46 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.899 175.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.98 137.02 32.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.756 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 13.9 pt -137.46 148.68 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.896 0.379 . . . . 0.0 111.2 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.44 23.23 33.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.206 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.8 m -136.23 146.65 28.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -95.82 6.97 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.998 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -131.74 118.38 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.085 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.644 ' HD1' HD12 ' A' ' 41' ' ' ILE . 52.8 t80 -141.06 157.62 45.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.362 -172.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 23.8 ttt -147.11 150.87 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 169.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.9 m -57.44 -49.54 75.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.587 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.5 t 69.84 -54.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 122.96 0.504 . . . . 0.0 110.22 -172.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.11 -179.99 29.06 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 34' ' ' PHE . . . -176.24 -36.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.131 0.466 . . . . 0.0 110.751 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.963 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 55.7 p 67.33 -73.28 0.08 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.717 1.207 . . . . 0.0 111.904 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.58 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 1.7 mp0 -68.34 -54.67 14.22 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 117.835 0.288 . . . . 0.0 111.108 178.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 32' ' ' GLN . 10.9 Cg_exo -74.34 42.23 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.35 2.033 . . . . 0.0 111.659 169.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 53' ' ' TYR . 71.8 m-85 72.72 117.67 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.244 1.018 . . . . 0.0 111.69 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.963 ' HB3' ' HA ' ' A' ' 31' ' ' THR . 7.9 p-10 -82.48 -168.92 2.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.531 176.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.741 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 36.4 m80 69.42 175.3 0.08 OUTLIER Pre-proline 0 N--CA 1.469 0.492 0 O-C-N 123.49 0.494 . . . . 0.0 109.739 -175.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.741 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 19.3 Cg_endo -60.39 94.67 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 121.829 1.686 . . . . 0.0 110.959 171.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 53' ' ' TYR . 12.8 t-80 -71.04 -79.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 -172.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 26' ' ' MET . 22.6 mm -144.66 137.08 21.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.934 -169.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -81.68 130.71 35.15 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.644 HD12 ' HD1' ' A' ' 25' ' ' PHE . 25.0 mt -124.23 85.41 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.857 0.36 . . . . 0.0 111.003 -173.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -107.0 135.59 48.3 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -83.73 -56.7 3.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.435 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.99 -91.31 0.15 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.585 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.3 m -72.88 -34.83 66.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.716 0.293 . . . . 0.0 111.373 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -96.06 165.22 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.193 0.52 . . . . 0.0 111.83 -174.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.62 23.81 13.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.985 0.898 . . . . 0.0 109.217 175.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -163.95 155.0 15.91 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.23 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -165.25 146.67 7.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.384 . . . . 0.0 110.452 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.2 tt -108.31 142.35 21.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 36.8 t -94.12 119.37 66.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.171 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 11.8 Cg_endo -56.24 144.77 80.38 Favored 'Trans proline' 0 C--O 1.239 0.566 0 C-N-CA 122.607 2.204 . . . . 0.0 111.453 177.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.553 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 92.6 m-85 65.84 13.02 8.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.633 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.9 m -134.16 -55.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.154 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.0 m 55.47 87.24 0.05 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.576 0.703 . . . . 0.0 111.395 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.54 ' HA ' ' C ' ' A' ' 16' ' ' LYS . 2.9 m -151.66 57.53 0.87 Allowed 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -30.16 112.17 0.08 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 113.676 -1.602 . . . . 0.0 112.79 -164.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.736 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 71.9 m-85 -85.76 107.34 17.57 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.508 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 59' ' ' ARG . 17.1 tpt85 -101.46 121.65 42.34 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.673 -174.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -92.62 97.31 10.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.092 0.472 . . . . 0.0 109.825 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 11.2 m-20 -90.9 131.66 36.74 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.629 176.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.24 -12.48 35.01 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.385 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -84.86 -9.96 57.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.382 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 61' ' ' ASP . 93.3 mt -89.53 170.42 10.51 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.67 -178.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 m -153.41 -160.81 1.16 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.78 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -67.22 -41.41 85.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.737 0.303 . . . . 0.0 110.855 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -92.61 -47.09 7.28 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.396 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -84.53 116.62 23.23 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.756 ' OG1' ' HA ' ' A' ' 20' ' ' ILE . 3.0 t -151.2 -59.93 0.17 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.329 0.585 . . . . 0.0 110.525 -175.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.706 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 8.2 p30 -152.52 165.92 16.49 Favored Pre-proline 0 C--N 1.312 -1.042 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.706 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 18.9 Cg_endo -60.31 134.29 54.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 123.024 2.483 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 28.0 m 80.5 142.28 0.07 Allowed 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.827 0.704 . . . . 0.0 110.8 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.95 109.83 1.65 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.467 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.678 ' SG ' HG21 ' A' ' 69' ' ' THR . 30.1 p -76.86 -10.27 59.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.628 0.251 . . . . 0.0 111.532 -176.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.8 mm? -78.63 130.13 35.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.459 ' HA ' ' HG2' ' A' ' 10' ' ' GLN . 37.4 t80 -80.71 94.75 6.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.437 0.636 . . . . 0.0 109.998 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -119.41 156.81 52.79 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.212 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.92 99.2 0.09 OUTLIER 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.576 2.184 . . . . 0.0 112.48 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.562 ' HD3' HE22 ' A' ' 10' ' ' GLN . 40.6 mtmt -86.45 91.21 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.44 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.2 tp -81.09 -29.7 34.84 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.97 -174.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 59.87 74.86 0.43 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.558 0.536 . . . . 0.0 110.969 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -75.72 -80.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 40.96 -126.84 0.49 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.983 0.802 . . . . 0.0 110.377 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 58.43 90.36 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.534 0.522 . . . . 0.0 112.168 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -81.08 159.02 24.85 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.097 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -102.42 -52.53 3.1 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 . . . . . 0 C--O 1.245 0.852 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.151 176.167 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mtp . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.28 110.26 15.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.866 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 p30 44.26 44.42 6.58 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.295 0.997 . . . . 0.0 112.142 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -72.72 144.4 47.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.787 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -59.14 124.16 19.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.445 0.64 . . . . 0.0 111.465 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 pt -115.57 155.71 46.99 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.049 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.93 136.98 73.34 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.348 2.032 . . . . 0.0 111.604 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -107.66 155.65 19.92 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -116.74 159.88 21.61 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -128.23 141.44 51.46 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.578 ' HA ' ' HE1' ' A' ' 15' ' ' TYR . 5.8 p-10 -119.21 112.28 19.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.709 . . . . 0.0 111.394 -178.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -88.29 -68.02 0.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.285 175.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.827 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.0 pt? -96.29 -8.02 33.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.476 179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.16 144.48 14.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.526 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' HE1' ' HA ' ' A' ' 11' ' ' ASN . 36.8 m-85 -128.61 108.58 10.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 55' ' ' SER . 91.7 mttt -102.65 -5.59 23.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.463 -173.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.7 mt -143.42 110.35 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.701 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 70.6 mt -124.23 119.44 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.205 0.526 . . . . 0.0 111.57 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 33.8 mt-10 -92.9 132.43 37.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.883 176.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.458 HD12 HG23 ' A' ' 22' ' ' VAL . 24.8 pt -133.84 155.45 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.805 0.336 . . . . 0.0 111.413 -174.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -95.79 17.99 58.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.539 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG23 HD12 ' A' ' 20' ' ' ILE . 30.5 m -124.41 176.29 5.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.782 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 39.5 ttmt -115.8 -25.79 7.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.209 0.528 . . . . 0.0 110.537 -176.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.8 104.63 12.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.266 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -146.73 152.26 38.52 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.449 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 26.2 ttt -114.46 128.37 56.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.967 0.413 . . . . 0.0 110.574 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.424 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 8.5 t -69.82 125.15 25.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.623 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 36' ' ' HIS . 3.6 p -110.94 132.77 58.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -155.07 61.16 0.37 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.836 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . . . -65.71 95.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.772 0.32 . . . . 0.0 111.282 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 m -157.96 -59.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.358 177.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.793 ' HB3' ' HD3' ' A' ' 33' ' ' PRO . 6.7 tp-100 -136.44 -57.74 0.02 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.202 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 32' ' ' GLN . 5.9 Cg_exo -78.91 101.96 1.49 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.893 1.728 . . . . 0.0 111.02 175.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 87.7 m-85 75.25 142.27 0.07 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.405 1.066 . . . . 0.0 110.519 -172.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -79.82 -25.8 40.7 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -169.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.724 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 98.4 m-70 -132.34 -58.61 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.483 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.724 ' HD3' ' HB2' ' A' ' 36' ' ' HIS . 91.9 Cg_endo -87.38 -157.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 121.784 1.656 . . . . 0.0 111.537 178.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -147.59 -86.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.773 0.321 . . . . 0.0 110.567 171.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.5 mm -144.02 134.37 20.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.01 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.449 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 37.3 p90 -76.54 138.28 40.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.45 HG13 ' CD2' ' A' ' 58' ' ' TYR . 47.4 mm -119.25 110.35 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.156 0.503 . . . . 0.0 110.833 -178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -105.73 130.72 53.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.501 174.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.782 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 61.5 mtt -95.85 95.24 8.13 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.33 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.66 62.72 3.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.873 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.0 m 63.62 91.57 0.07 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.214 0.606 . . . . 0.0 111.096 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.9 t -161.72 164.61 28.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.37 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.79 -43.74 21.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.25 0.547 . . . . 0.0 109.761 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -159.22 147.85 18.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.425 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -136.55 133.59 36.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.776 0.322 . . . . 0.0 110.405 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 5.8 tt -79.82 167.87 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.457 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.9 t -119.39 111.37 36.6 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.828 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -58.96 145.25 98.03 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.853 2.368 . . . . 0.0 112.836 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.559 ' O ' ' HB3' ' A' ' 54' ' ' CYS . 70.1 m-85 69.74 32.76 3.14 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.987 172.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 53' ' ' TYR . 14.5 p 172.79 -27.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 170.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 48.0 m 69.49 139.67 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.552 0.691 . . . . 0.0 109.866 -168.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.463 ' H ' ' H ' ' A' ' 57' ' ' LEU . 4.3 m -167.18 -18.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER 27.55 88.61 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 113.472 -1.695 . . . . 0.0 113.589 169.584 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.701 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 79.4 m-85 -88.17 117.1 26.83 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.228 0.537 . . . . 0.0 110.341 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 36.3 mtp180 -106.82 140.95 38.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.814 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.469 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 69.7 t80 -119.28 98.75 6.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.399 0.619 . . . . 0.0 110.603 177.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.513 ' H ' HD12 ' A' ' 64' ' ' LEU . 10.2 t70 -100.56 133.73 21.09 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.03 -18.5 13.51 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.055 2.503 . . . . 0.0 113.785 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.8 p -83.81 -9.44 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.218 -0.301 . . . . 0.0 111.374 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 61' ' ' ASP . 84.5 mt -83.36 115.59 22.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.499 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 41.3 m -66.5 158.92 28.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -69.88 -3.57 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -115.26 4.97 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.174 0.511 . . . . 0.0 110.108 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -97.99 154.96 17.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.446 -174.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.522 HG21 HD21 ' A' ' 75' ' ' LEU . 14.6 t -148.39 -161.52 1.36 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.767 -176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.531 ' HB3' HG23 ' A' ' 18' ' ' ILE . 26.4 t-20 -100.67 138.91 20.22 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 6.1 Cg_exo -77.37 -172.43 1.45 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 124.139 3.226 . . . . 0.0 114.5 -168.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.1 m 83.29 73.78 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.072 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 49.88 55.61 14.24 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.847 -0.615 . . . . 0.0 113.542 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.6 p -101.29 -175.64 2.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -175.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.522 HD21 HG21 ' A' ' 69' ' ' THR . 3.7 mm? 73.19 123.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.711 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -101.93 83.06 2.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -90.08 163.97 29.8 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.591 -171.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.35 155.18 16.85 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.625 2.217 . . . . 0.0 111.292 170.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -82.85 32.36 0.43 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.708 -170.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.9 tp 52.53 69.23 0.71 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.902 0.858 . . . . 0.0 109.485 -173.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -102.24 -166.83 1.33 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.067 -171.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -79.6 174.27 11.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.409 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -74.27 92.55 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -73.9 112.97 10.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.413 0.625 . . . . 0.0 112.076 -174.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -76.76 115.9 16.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.848 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -73.93 -64.92 0.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.87 0.366 . . . . 0.0 110.383 -176.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.5 p80 . . . . . 0 C--O 1.246 0.908 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 176.656 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.07 175.8 0.23 Allowed 'General case' 0 C--O 1.234 0.284 0 O-C-N 124.018 0.824 . . . . 0.0 111.701 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.13 92.37 6.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -171.8 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.503 -174.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -75.07 138.68 42.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.744 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 48.7 mm -73.67 121.64 85.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.374 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 24.3 Cg_exo -63.45 135.89 52.01 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.897 2.398 . . . . 0.0 112.994 -177.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -125.24 153.02 43.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 42.8 m-85 -117.23 177.67 4.64 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.732 -172.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -131.01 154.69 47.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.685 0.279 . . . . 0.0 110.598 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -118.5 93.24 4.04 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.35 -67.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.21 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.856 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -83.87 -28.09 28.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . 135.87 -85.47 0.25 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.437 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 12.6 m-85 73.5 122.26 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.321 0.659 . . . . 0.0 111.27 -175.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 55' ' ' SER . 64.2 mttp -99.54 3.81 45.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.218 176.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -140.6 110.77 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.582 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.768 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 26.6 mm -108.42 121.52 61.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.722 0.772 . . . . 0.0 111.505 173.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.24 130.3 44.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.518 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' A' ' 9' ' ' PHE . 1.5 pp -149.04 164.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.936 0.398 . . . . 0.0 111.708 -174.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.28 19.6 31.71 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.421 ' O ' HD13 ' A' ' 20' ' ' ILE . 39.3 t -109.56 125.03 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 34.9 mtmt -93.14 -22.56 19.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.008 0.433 . . . . 0.0 110.941 -175.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -130.15 104.62 7.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.603 -171.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -156.63 171.52 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.343 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.556 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -112.22 120.48 41.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.25 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.631 ' HB3' ' O ' ' A' ' 39' ' ' ILE . 2.6 t -73.98 137.47 43.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.119 0.485 . . . . 0.0 111.614 -176.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.803 HG22 ' H ' ' A' ' 29' ' ' GLY . 11.3 p -100.97 -141.48 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.803 ' H ' HG22 ' A' ' 28' ' ' VAL . . . 120.57 -56.89 0.59 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.884 176.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.458 ' O ' ' HD2' ' A' ' 33' ' ' PRO . . . -84.09 -46.81 11.57 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.0 m 77.12 -44.47 0.45 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.462 176.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.648 ' HB3' ' HD3' ' A' ' 33' ' ' PRO . 7.6 tp60 -119.31 -51.05 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 119.411 -0.328 . . . . 0.0 111.483 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 32' ' ' GLN . 50.0 Cg_exo -55.94 162.74 6.66 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.957 1.771 . . . . 0.0 111.914 172.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 82.9 m-85 67.17 -163.18 0.22 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.225 -171.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -113.4 117.77 32.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.995 ' HB2' ' HD2' ' A' ' 37' ' ' PRO . 14.4 p80 48.31 -167.67 0.01 OUTLIER Pre-proline 0 N--CA 1.478 0.965 0 O-C-N 124.044 0.84 . . . . 0.0 111.12 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.995 ' HD2' ' HB2' ' A' ' 36' ' ' HIS . 40.1 Cg_exo -38.28 137.24 0.52 Allowed 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 121.997 1.798 . . . . 0.0 111.648 167.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.476 ' HE1' ' O ' ' A' ' 52' ' ' PRO . 13.2 t-80 -53.24 -81.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -165.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.631 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 51.1 mt -147.79 127.28 4.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.009 -173.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 54.5 p90 -77.6 142.13 39.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.996 0.427 . . . . 0.0 110.839 -176.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.5 mm -113.37 127.07 70.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -131.48 111.8 12.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.344 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.704 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mpt? -75.06 82.83 2.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.988 0.423 . . . . 0.0 110.511 176.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.09 72.12 1.14 Allowed Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.832 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.4 m 66.85 13.41 9.4 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.148 0.579 . . . . 0.0 111.466 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 t -104.49 156.23 18.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.183 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.63 -35.81 22.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.6 -174.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.508 ' HB2' HD21 ' A' ' 57' ' ' LEU . 10.6 pt-20 -139.21 145.14 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.889 0.376 . . . . 0.0 111.411 -177.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -144.12 136.12 26.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.027 174.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 55' ' ' SER . 14.8 tt -104.36 144.99 13.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.426 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 44.4 t -93.63 115.55 65.24 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 178.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.476 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 31.5 Cg_exo -58.95 147.41 89.81 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.775 2.317 . . . . 0.0 110.886 176.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 62.81 34.23 14.65 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.437 0.461 . . . . 0.0 110.438 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.1 m -155.1 -49.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.068 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.621 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 13.0 p 48.02 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.71 0.767 . . . . 0.0 110.12 -166.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.431 HG22 HG12 ' A' ' 18' ' ' ILE . 3.0 m -158.77 41.69 0.24 Allowed 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 -169.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 48' ' ' GLU . 8.5 tt -40.22 114.22 0.43 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 113.822 -1.536 . . . . 0.0 112.163 -165.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.768 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 71.4 m-85 -91.12 113.71 26.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.637 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 ttp85 -109.63 126.36 53.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.905 0.383 . . . . 0.0 110.674 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -96.94 100.97 12.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.858 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.98 133.56 21.24 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.2 -11.16 7.38 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.542 2.828 . . . . 0.0 114.412 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.1 p -77.75 -16.96 58.05 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 110.304 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.4 -173.54 2.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.934 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 t -165.69 -167.98 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -69.42 -33.71 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.919 0.39 . . . . 0.0 110.649 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -94.96 -23.82 17.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.37 116.92 25.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.958 0.409 . . . . 0.0 110.505 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 t -115.56 -143.51 0.38 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.748 -175.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.596 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 4.2 p-10 -100.22 162.66 20.21 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 122.48 0.312 . . . . 0.0 111.537 -171.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.596 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 7.6 Cg_endo -50.19 149.77 11.69 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.669 2.913 . . . . 0.0 112.78 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.9 m 74.07 -49.25 0.67 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.218 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 108.38 105.65 3.01 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.304 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.1 m -130.25 89.83 2.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.086 0.47 . . . . 0.0 110.564 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 3.1 pp -138.39 151.29 47.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.871 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -84.29 102.51 12.73 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.256 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -83.44 116.96 67.15 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.701 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.08 122.72 11.93 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -76.79 134.06 39.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.405 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 93.8 mt -102.87 80.34 1.87 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.71 116.46 20.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.768 -174.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -119.49 39.31 3.64 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.391 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -67.99 -22.29 65.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.302 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -79.66 101.28 8.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -53.9 118.02 3.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.635 0.731 . . . . 0.0 112.188 -169.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -82.55 146.75 29.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.48 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.345 178.158 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.018 0.437 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.49 176.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.404 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -87.15 130.27 34.6 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 172.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -102.44 16.48 26.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.931 0.396 . . . . 0.0 111.556 -171.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -110.64 75.7 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.982 0.42 . . . . 0.0 110.328 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.9 pt -79.39 148.47 70.46 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.2 117.84 4.71 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.792 2.328 . . . . 0.0 112.321 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 65.3 m80 -90.83 133.66 35.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -110.75 156.73 20.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.756 0.313 . . . . 0.0 111.316 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 8.8 pt20 -131.52 163.02 28.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.132 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.538 ' HB3' ' HD2' ' A' ' 15' ' ' TYR . 16.8 p-10 -98.67 114.81 27.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.275 0.559 . . . . 0.0 110.722 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.455 ' HB3' HG23 ' A' ' 72' ' ' THR . 24.9 t70 -83.81 -55.84 4.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.301 178.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -115.31 9.23 15.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.555 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.7 -166.4 12.26 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.445 -177.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.538 ' HD2' ' HB3' ' A' ' 11' ' ' ASN . 28.7 p90 -162.47 157.93 23.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -162.42 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.473 HG23 HD22 ' A' ' 57' ' ' LEU . 71.4 mt -137.43 110.47 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.077 169.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 62.9 mt -108.84 117.92 55.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.131 0.491 . . . . 0.0 111.5 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 64' ' ' LEU . 37.8 mt-10 -91.45 128.25 37.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.01 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 pt -125.84 147.21 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 111.135 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.13 31.77 8.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.648 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 t -120.59 149.31 23.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HD3' ' HB2' ' A' ' 43' ' ' MET . 3.2 tmtm? -83.98 -32.01 25.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.069 0.461 . . . . 0.0 110.389 -175.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -124.19 140.94 52.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.048 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -155.79 167.84 29.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.484 ' CE ' ' HB2' ' A' ' 37' ' ' PRO . 19.3 ttt -146.48 141.69 27.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.869 0.366 . . . . 0.0 110.473 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.76 135.41 48.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.076 -175.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.866 HG22 ' H ' ' A' ' 29' ' ' GLY . 9.8 p -106.92 -164.79 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.431 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.866 ' H ' HG22 ' A' ' 28' ' ' VAL . . . -159.43 -174.61 29.38 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.646 -0.581 . . . . 0.0 111.646 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.7 -86.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.142 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 p -94.67 -63.67 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.096 0.474 . . . . 0.0 110.093 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -116.74 103.09 52.82 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.667 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.03 -31.9 22.75 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.886 2.39 . . . . 0.0 112.57 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.823 ' HB2' ' HD2' ' A' ' 38' ' ' HIS . 44.5 t80 177.56 174.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -174.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.2 -32.88 70.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.616 0.722 . . . . 0.0 110.134 174.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.674 ' O ' ' HB3' ' A' ' 34' ' ' PHE . 37.2 m80 -129.28 179.47 1.29 Allowed Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 174.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.573 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 71.3 Cg_exo -50.19 127.33 19.53 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 121.121 1.214 . . . . 0.0 109.61 166.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.823 ' HD2' ' HB2' ' A' ' 34' ' ' PHE . 2.8 t-80 -49.42 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 -159.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.434 ' O ' ' HG3' ' A' ' 26' ' ' MET . 30.1 mm -144.19 130.86 16.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.035 -173.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -71.75 130.67 41.68 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.496 0.498 . . . . 0.0 109.67 174.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -121.79 88.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.366 0.603 . . . . 0.0 110.465 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.78 155.77 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.643 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.547 ' HB2' ' HD3' ' A' ' 23' ' ' LYS . 13.8 mmt -119.92 45.82 2.08 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.538 -176.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.74 -46.72 59.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.602 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.2 t -169.42 98.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.783 HG21 ' HG3' ' A' ' 49' ' ' LYS . 17.0 m -155.11 -40.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.867 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 77.39 -52.37 0.54 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.068 0.947 . . . . 0.0 110.368 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' HB2' HD21 ' A' ' 57' ' ' LEU . 4.2 pt-20 -132.04 113.41 13.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.762 176.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.783 ' HG3' HG21 ' A' ' 46' ' ' THR . 9.3 tttp -116.25 114.55 24.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -173.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.552 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.2 tt -84.73 141.58 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.7 t -95.36 121.8 61.03 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.328 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.11 153.98 42.36 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 122.842 2.362 . . . . 0.0 111.828 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.9 m-85 61.52 26.61 16.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.612 -178.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 55' ' ' SER . 86.9 m -149.69 -69.14 0.2 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 49.4 m 70.44 117.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -160.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.433 ' H ' ' H ' ' A' ' 57' ' ' LEU . 6.9 t 177.84 -14.71 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -165.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 5.4 tt 27.7 87.47 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 125.131 1.519 . . . . 0.0 113.024 172.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.605 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 78.4 m-85 -80.35 116.33 20.37 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -110.77 121.9 46.47 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.006 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -84.19 88.01 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 19.5 t70 -94.62 122.06 61.69 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.516 -173.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 26.9 Cg_exo -62.68 -17.48 59.1 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.083 2.522 . . . . 0.0 113.564 -176.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -81.43 -7.74 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.509 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 19' ' ' GLU . 98.1 mt -86.64 -165.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -152.67 168.92 24.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.11 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -63.69 -25.24 68.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.191 0.519 . . . . 0.0 110.285 175.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -98.0 -6.72 31.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.354 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -133.59 116.52 15.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.865 0.364 . . . . 0.0 110.939 -173.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 t -116.05 -122.28 0.29 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 7.2 t30 -100.44 134.15 20.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 10.9 Cg_exo -69.55 106.87 1.7 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.517 2.145 . . . . 0.0 111.38 -177.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.455 HG23 ' HB3' ' A' ' 12' ' ' ASP . 8.0 m 172.46 146.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -173.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.68 70.92 0.17 Allowed Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.027 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 53.7 m -82.7 -153.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.731 0.413 . . . . 0.0 111.054 -176.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 3.2 mm? 64.18 95.61 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.838 0.711 . . . . 0.0 111.623 -177.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.451 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 3.9 t80 -88.29 89.47 8.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.151 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -130.26 124.09 21.04 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.488 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.79 132.56 28.89 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.609 2.206 . . . . 0.0 112.476 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -94.78 1.67 55.44 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.484 0.659 . . . . 0.0 109.511 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.7 mt -94.05 138.8 31.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.64 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -127.95 164.67 21.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.338 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -138.54 140.73 39.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -73.13 -60.45 2.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -143.02 -69.6 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 170.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -156.41 115.15 3.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.238 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.06 -71.98 0.19 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 C--O 1.246 0.914 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 176.421 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.716 0.293 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.91 165.99 12.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.647 0.26 . . . . 0.0 110.695 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.33 96.64 10.76 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -97.56 44.32 1.05 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.446 0.641 . . . . 0.0 110.372 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -72.5 80.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.969 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.2 pt -71.11 138.56 84.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.215 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.4 120.46 8.13 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.985 2.457 . . . . 0.0 112.445 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.479 ' HD2' ' HB3' ' A' ' 76' ' ' TYR . 19.4 p-80 -130.9 124.17 30.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.373 177.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 38.3 m-85 -112.0 -179.46 3.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.009 -171.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' HG2' ' H ' ' A' ' 75' ' ' LEU . 10.1 pt20 -120.27 159.34 25.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.302 -175.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.434 ' HB3' ' HA2' ' A' ' 14' ' ' GLY . 28.4 m-80 -119.53 101.62 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.739 174.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.77 -63.47 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.476 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.573 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -105.2 -1.2 25.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.689 178.355 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA2' ' HB3' ' A' ' 11' ' ' ASN . . . 83.56 104.13 0.53 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.539 -175.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.427 ' OH ' HG21 ' A' ' 72' ' ' THR . 35.4 m-85 -96.88 133.79 41.05 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -176.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -84.83 -20.13 31.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.423 -174.48 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.415 HG23 ' HB3' ' A' ' 57' ' ' LEU . 65.9 mt -134.75 110.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 172.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.679 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.1 mt -112.18 117.24 54.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.723 0.773 . . . . 0.0 111.552 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -91.38 140.04 30.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.783 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 pt -145.08 160.9 13.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.699 0.285 . . . . 0.0 110.232 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -100.22 22.76 38.65 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.619 175.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 24' ' ' GLU . 13.0 t -118.35 140.35 42.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -178.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 35.2 ttmt -94.62 -19.16 20.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.096 0.474 . . . . 0.0 110.834 -175.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' H ' HG12 ' A' ' 22' ' ' VAL . 40.3 mt-10 -117.07 111.3 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.043 177.429 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -139.84 144.9 37.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.01 0.433 . . . . 0.0 111.07 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.515 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 18.2 ttt -120.03 127.32 52.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 38' ' ' HIS . 7.5 p -77.09 87.41 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.473 -175.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t 69.47 96.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.745 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.02 143.34 16.05 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.24 -173.7 2.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.886 0.343 . . . . 0.0 111.059 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m -66.07 -40.02 90.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.506 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -88.71 160.93 43.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.484 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.49 -177.2 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.19 2.593 . . . . 0.0 113.379 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -69.66 100.98 1.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.059 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.675 ' H ' ' HD3' ' A' ' 37' ' ' PRO . 2.9 t70 -131.64 -64.12 0.8 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.062 170.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.619 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 27.1 t-80 -133.41 40.24 0.56 Allowed Pre-proline 0 CA--C 1.551 1.0 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 172.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.675 ' HD3' ' H ' ' A' ' 35' ' ' ASP . 9.7 Cg_endo -92.29 -95.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.742 1.628 . . . . 0.0 108.372 161.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.611 ' HE1' ' HB2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -174.8 -167.1 0.27 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.133 159.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.7 tt -97.3 151.45 4.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 112.064 -167.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.515 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 37.1 p90 -83.28 139.41 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.007 176.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.7 mt -123.1 114.36 41.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.31 0.576 . . . . 0.0 111.323 -176.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -94.39 129.13 41.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.347 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.56 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 66.2 mtt -77.19 -40.05 46.61 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.813 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.05 -111.7 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.003 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.6 m -111.23 73.82 0.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.05 0.452 . . . . 0.0 110.68 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 p -142.66 165.04 28.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.528 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -95.93 -41.61 8.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.47 0.652 . . . . 0.0 109.752 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -149.27 137.52 20.75 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.604 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -140.6 133.89 29.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.83 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.528 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 13.4 tt -108.4 156.84 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.1 0.476 . . . . 0.0 110.909 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 43.8 t -94.37 110.2 47.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 172.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -48.29 -43.86 30.71 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.802 2.335 . . . . 0.0 111.661 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.611 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 64.7 m-85 -98.12 87.58 3.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.234 173.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.7 m 165.7 -52.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.188 0.995 . . . . 0.0 109.958 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.592 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 39.2 m 60.3 84.25 0.13 Allowed 'General case' 0 C--N 1.339 0.116 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 -168.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 m -167.11 60.41 0.08 Allowed 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 -168.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 1.3 tt -52.88 108.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.597 -170.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.679 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 35.0 m-85 -83.83 101.79 11.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.571 -177.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -93.64 125.31 38.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.05 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.558 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 57.3 t80 -81.28 91.72 6.26 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -94.22 122.9 60.45 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.345 -170.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.61 -14.62 22.1 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.975 2.45 . . . . 0.0 113.487 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -14.15 38.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.981 0.419 . . . . 0.0 110.391 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.9 mt -84.95 -164.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.656 172.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.437 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 12.7 p -140.0 164.49 29.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.612 0.244 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' GLY . 97.3 m-85 -64.13 -24.34 67.65 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.993 -174.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -102.58 18.16 21.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.082 0.467 . . . . 0.0 110.233 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -124.96 142.54 51.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.162 -173.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.421 ' HB ' ' CZ ' ' A' ' 9' ' ' PHE . 9.1 t -108.9 -141.81 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.461 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -100.34 155.67 36.13 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.62 107.0 1.55 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.314 2.009 . . . . 0.0 112.128 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.427 HG21 ' OH ' ' A' ' 15' ' ' TYR . 22.8 m 177.98 -53.31 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.418 1.087 . . . . 0.0 108.734 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.52 44.48 0.47 Allowed Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.179 -174.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.9 m -92.62 120.19 32.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.792 -0.204 . . . . 0.0 110.558 -176.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.548 ' H ' ' HG2' ' A' ' 10' ' ' GLN . 3.3 pp -166.96 134.07 2.43 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.479 ' HB3' ' HD2' ' A' ' 8' ' ' HIS . 46.1 t80 -102.35 93.03 4.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -137.11 110.5 9.16 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.6 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -72.6 125.34 10.52 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.458 2.105 . . . . 0.0 111.608 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -111.82 23.4 13.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.222 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.33 -72.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.781 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 55.82 97.21 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.878 0.736 . . . . 0.0 112.376 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -74.85 -45.18 44.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.018 0.437 . . . . 0.0 109.977 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -102.37 150.72 23.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.445 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -77.01 94.39 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.614 0.721 . . . . 0.0 110.362 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -122.1 113.14 19.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.007 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 87' ' ' HIS . 63.8 m-70 -120.32 -86.86 0.65 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.066 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 86' ' ' HIS . 10.9 p80 . . . . . 0 C--O 1.245 0.832 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.484 1.25 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.676 ' HB1' HG22 ' A' ' 6' ' ' ILE . . . -96.29 98.08 10.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.864 0.364 . . . . 0.0 110.029 176.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -119.22 138.79 52.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.31 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.9 t80 70.82 -60.77 0.5 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.031 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -132.55 144.45 50.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.92 0.391 . . . . 0.0 110.5 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.676 HG22 ' HB1' ' A' ' 2' ' ' ALA . 35.5 pt -120.75 148.12 47.54 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -179.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.58 136.44 58.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.803 2.335 . . . . 0.0 112.098 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -90.59 121.66 32.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.667 0.746 . . . . 0.0 111.831 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 96.2 m-85 -102.38 -173.97 2.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.632 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.406 ' HB2' ' CE2' ' A' ' 15' ' ' TYR . 11.9 mt-30 -112.27 163.59 14.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.212 0.529 . . . . 0.0 111.009 -172.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' A' ' 13' ' ' LEU . 6.7 m-20 -110.51 174.33 5.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.531 -172.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -54.3 10.54 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 11' ' ' ASN . 93.6 mt -64.47 -22.54 66.99 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 118.3 0.5 . . . . 0.0 110.499 176.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.88 26.07 1.03 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.873 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.52 ' CD1' HD11 ' A' ' 18' ' ' ILE . 74.6 m-85 -143.48 164.71 29.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 56' ' ' THR . 21.2 tptm -136.85 -36.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 110.691 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 57' ' ' LEU . 75.7 mt -135.66 115.88 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.9 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 32.6 mm -122.78 126.96 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -176.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.49 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 40.3 mt-10 -91.36 146.25 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.411 175.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.16 163.97 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.351 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.81 29.38 7.5 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.272 -178.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.6 t -125.41 132.64 70.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -73.31 -27.51 61.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 111.565 -176.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.98 105.61 11.22 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -116.39 153.12 32.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.092 0.472 . . . . 0.0 110.965 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.543 ' SD ' ' HA ' ' A' ' 40' ' ' PHE . 11.1 tpt -147.17 145.09 29.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 9.2 m -70.95 150.74 45.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 175.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.5 m -72.22 155.75 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.078 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -155.92 171.71 33.84 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.232 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.17 28.5 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.822 0.344 . . . . 0.0 110.514 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m 66.18 78.06 0.27 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.882 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -143.01 159.1 57.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.54 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.68 115.98 2.69 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.322 2.015 . . . . 0.0 111.612 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -83.77 33.26 0.47 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -171.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -89.88 -16.85 29.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.745 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.75 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 m-70 -131.81 -59.24 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.75 ' HD2' ' H ' ' A' ' 36' ' ' HIS . 6.5 Cg_endo -48.38 -56.67 2.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.602 2.201 . . . . 0.0 112.919 -174.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 27' ' ' CYS . 90.1 m-70 -149.8 138.94 21.21 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.241 175.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.5 tp -101.31 152.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 O-C-N 123.427 0.454 . . . . 0.0 110.293 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.543 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 6.7 p90 -76.16 145.87 39.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.606 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.31 111.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 111.75 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.99 112.42 24.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.67 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.1 mmt -77.81 -65.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.007 0.432 . . . . 0.0 110.249 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.52 -107.89 1.71 Allowed Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.389 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 p -93.63 -9.19 38.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.83 0.347 . . . . 0.0 111.299 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.595 ' HB ' ' HE2' ' A' ' 49' ' ' LYS . 22.6 m -106.64 110.57 22.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' TYR . 49.7 m-20 -72.77 -41.46 65.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -169.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' HB2' HD21 ' A' ' 57' ' ' LEU . 16.8 pt-20 -111.14 125.7 54.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.087 0.47 . . . . 0.0 112.047 -173.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.595 ' HE2' ' HB ' ' A' ' 46' ' ' THR . 68.0 mttm -144.88 137.38 26.23 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.367 176.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 13.7 tt -94.88 161.59 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 41.6 t -99.88 113.66 65.25 Favored Pre-proline 0 N--CA 1.461 0.12 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.233 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -52.46 -32.13 51.37 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.833 2.356 . . . . 0.0 111.815 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -111.93 80.1 1.29 Allowed 'General case' 0 C--O 1.247 0.962 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.348 175.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 2.3 m 158.15 -54.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 O-C-N 124.848 1.342 . . . . 0.0 110.13 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.548 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 54.1 p 86.43 -151.55 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 -148.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 10.4 m 85.27 71.77 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 167.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 1.4 tt -59.91 104.37 0.29 Allowed 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.953 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.9 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 65.2 m-85 -83.87 110.91 18.75 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 123.788 0.68 . . . . 0.0 109.59 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 31.2 mtm180 -104.0 114.95 29.57 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 83.0 t80 -86.16 93.45 9.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 172.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.544 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 11.7 t0 -82.89 125.02 76.27 Favored Pre-proline 0 C--N 1.317 -0.805 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -59.64 -12.91 19.29 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.929 2.419 . . . . 0.0 112.824 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m -82.83 -12.99 57.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.91 0.386 . . . . 0.0 110.485 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 94.2 mt -87.37 -171.11 3.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.9 t -158.61 174.23 15.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -175.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.69 -25.73 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.533 . . . . 0.0 110.671 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -93.82 2.67 56.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.524 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -123.49 142.67 50.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.145 0.497 . . . . 0.0 111.309 -176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -132.52 -150.1 0.4 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.675 ' ND2' HG23 ' A' ' 18' ' ' ILE . 5.6 p30 -100.33 165.22 14.84 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -175.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.547 ' O ' HG23 ' A' ' 72' ' ' THR . 45.3 Cg_endo -90.99 106.69 0.29 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 122.827 2.352 . . . . 0.0 112.453 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.7 p -169.29 -63.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 109.527 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 133.3 51.61 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.685 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 75' ' ' LEU . 77.6 m -78.29 -151.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.487 -0.357 . . . . 0.0 111.723 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 2.7 mt 70.79 110.88 0.06 Allowed 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.988 0.805 . . . . 0.0 111.667 -175.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -85.75 108.69 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.102 0.477 . . . . 0.0 110.669 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -107.06 162.13 20.69 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.193 174.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -70.16 56.41 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.26 2.64 . . . . 0.0 113.488 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 71.52 -68.62 0.21 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.349 0.66 . . . . 0.0 111.715 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.3 mt -114.6 110.07 19.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.644 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.8 -9.68 57.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.208 0.528 . . . . 0.0 110.515 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -144.21 139.21 28.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.02 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -125.4 174.11 8.4 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -86.47 125.48 33.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -88.19 -15.57 35.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.137 0.494 . . . . 0.0 110.379 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -134.65 143.83 47.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.573 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.233 177.443 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 26' ' ' MET . 13.5 pt . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.292 0.091 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.33 145.96 53.35 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.262 2.642 . . . . 0.0 113.675 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 26' ' ' MET . 97.8 m-70 -125.13 141.25 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.851 177.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.579 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 74.0 m-85 -115.71 154.91 28.71 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.527 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 9.6 pt20 . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.061 -173.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.497 ' O ' ' HA ' ' A' ' 56' ' ' THR . 11.5 m-30 -82.39 139.87 33.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -69.47 -30.31 68.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.906 -170.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -127.79 110.47 22.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 26.7 mm -105.61 130.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.35 0.595 . . . . 0.0 112.597 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' H ' ' HB3' ' A' ' 70' ' ' ASN . 26.2 mm-40 -91.45 121.55 33.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.839 177.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.46 HG23 HG22 ' A' ' 18' ' ' ILE . 46.4 pt -127.67 148.3 32.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.825 0.345 . . . . 0.0 111.018 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.96 14.31 57.3 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.606 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.7 m -121.79 147.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.7 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 58.1 mttp -101.95 -0.12 34.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.911 0.386 . . . . 0.0 111.06 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -117.03 124.05 48.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 73.4 t80 -146.95 147.17 30.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.261 0.553 . . . . 0.0 111.624 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.594 ' HB2' HD11 ' A' ' 6' ' ' ILE . 13.4 tpt -131.22 116.6 17.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.433 173.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 51.8 t -68.85 139.63 55.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.443 -175.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.844 179.305 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.504 HG21 ' HD2' ' A' ' 52' ' ' PRO . 9.2 tp -148.15 150.94 13.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.42 175.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.469 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 8.3 p90 -91.19 134.37 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.611 0.243 . . . . 0.0 110.372 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.89 134.2 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.037 0.446 . . . . 0.0 111.524 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -134.03 150.52 51.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.7 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 52.6 mtt -97.49 -70.84 0.71 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.079 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.73 -106.52 1.58 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.11 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.8 m -92.82 -11.6 33.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.182 0.515 . . . . 0.0 110.606 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.1 p -108.24 100.48 9.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.358 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.906 ' HB3' ' HB3' ' A' ' 60' ' ' TYR . 25.2 m-20 -81.79 -1.92 49.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.249 0.547 . . . . 0.0 110.438 -177.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.66 109.05 17.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.295 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -141.41 116.83 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.89 0.376 . . . . 0.0 111.423 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.652 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 14.2 tt -90.23 153.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.807 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 52.5 t -93.68 121.52 64.48 Favored Pre-proline 0 C--N 1.321 -0.644 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.537 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.504 ' HD2' HG21 ' A' ' 39' ' ' ILE . 54.7 Cg_exo -52.82 128.58 29.14 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 122.928 2.418 . . . . 0.0 111.659 176.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 61.09 56.19 2.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.977 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.0 m -157.87 -46.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.248 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.8 m 61.54 85.37 0.12 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.486 0.66 . . . . 0.0 109.353 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 8.4 m -168.88 47.71 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -167.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.652 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 4.2 tt -53.17 107.01 0.19 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.943 -168.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.807 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 74.1 m-85 -79.75 104.37 10.29 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.514 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -107.34 128.4 54.42 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.4 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.906 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . 42.8 t80 -95.45 122.81 38.56 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 13.3 t70 -122.85 133.76 24.65 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.323 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 69.5 Cg_exo -53.32 -26.04 33.25 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 123.342 2.694 . . . . 0.0 113.996 -177.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.4 p -75.53 -17.28 60.13 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.237 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 61' ' ' ASP . 1.8 pp -118.46 144.79 45.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -122.81 -168.75 1.8 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.09 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -61.48 -22.4 65.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.103 0.478 . . . . 0.0 111.431 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -91.51 7.22 42.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.398 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -132.66 176.25 8.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.998 0.428 . . . . 0.0 111.177 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 t -161.92 -148.22 0.14 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.317 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.458 ' HB3' ' H ' ' A' ' 19' ' ' GLU . 3.7 p-10 -100.78 167.97 10.0 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.557 0.218 . . . . 0.0 111.066 -173.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.444 ' O ' ' HB ' ' A' ' 72' ' ' THR . 47.5 Cg_exo -56.88 130.56 40.49 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.631 2.221 . . . . 0.0 111.547 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 51.1 m 76.53 137.74 0.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.858 0.724 . . . . 0.0 110.587 -173.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.41 82.72 0.46 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.988 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.1 m -89.63 13.78 13.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.942 0.401 . . . . 0.0 111.104 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.93 135.44 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.527 ' HD1' ' HB3' ' A' ' 10' ' ' GLN . 62.7 t80 -81.2 124.74 29.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 p30 . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.513 -174.615 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.9 pt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.42 99.65 0.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.374 2.049 . . . . 0.0 111.65 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.501 ' CD2' ' H ' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -90.35 119.11 30.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.304 0.573 . . . . 0.0 110.789 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 95.2 m-85 -102.4 173.08 6.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.996 -176.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 1.5 pp0? . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.841 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 119.9 -0.389 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.487 ' HB2' HD11 ' A' ' 18' ' ' ILE . 18.3 m-85 65.9 113.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.311 0.576 . . . . 0.0 111.158 -175.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.91 -50.53 62.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.257 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.0 mt -122.36 110.84 28.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.596 -0.441 . . . . 0.0 109.912 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 15' ' ' TYR . 17.9 mt -108.0 123.64 63.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.398 176.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' HG3' ' HB3' ' A' ' 59' ' ' ARG . 30.6 mp0 -91.29 138.21 31.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.992 0.425 . . . . 0.0 110.778 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.2 pt -137.7 157.14 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.49 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.08 28.17 17.26 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.105 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 t -127.5 142.85 42.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -87.35 -29.57 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.721 0.296 . . . . 0.0 111.69 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' HB3' ' HZ ' ' A' ' 40' ' ' PHE . 30.0 mt-10 -124.79 115.74 21.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.938 0.399 . . . . 0.0 110.803 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.416 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 45.2 t80 -145.03 141.12 28.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.387 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.708 ' HB2' ' HD1' ' A' ' 40' ' ' PHE . 19.6 ttt -125.41 132.27 52.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 78.2 m -61.16 123.82 18.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.167 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.4 t . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.154 175.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.619 ' CE1' ' HG ' ' A' ' 54' ' ' CYS . 10.9 m-70 . . . . . 0 CA--C 1.524 -0.025 0 CA-C-O 120.928 0.394 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.412 HG12 ' N ' ' A' ' 40' ' ' PHE . 17.4 tt -128.87 169.79 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.453 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.708 ' HD1' ' HB2' ' A' ' 26' ' ' MET . 92.5 t80 -84.01 125.86 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.44 HG23 ' CD ' ' A' ' 49' ' ' LYS . 3.7 mp -98.81 107.35 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.469 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.28 139.83 46.35 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.467 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 47.3 mtm -111.37 39.23 2.36 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.187 0.517 . . . . 0.0 110.935 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.87 -23.35 57.85 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 p -83.92 -64.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.165 -0.518 . . . . 0.0 110.493 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.8 p -120.93 150.77 40.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.005 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.8 15.59 3.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.221 0.534 . . . . 0.0 111.49 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.516 ' HB2' HD21 ' A' ' 57' ' ' LEU . 10.4 pt-20 -153.48 133.24 13.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.161 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' CD ' HG23 ' A' ' 41' ' ' ILE . 8.3 tttp -143.92 123.8 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.263 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 11.3 tt -84.31 157.52 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 175.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.894 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 48.5 t -104.72 112.0 65.27 Favored Pre-proline 0 C--N 1.33 -0.265 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.63 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 4.4 Cg_endo -47.65 -47.16 18.96 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.065 2.51 . . . . 0.0 111.75 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -101.74 79.51 1.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.26 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.69 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.3 m 164.49 -46.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 O-C-N 124.167 0.917 . . . . 0.0 110.954 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.557 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 19.3 m 77.14 -151.28 0.03 OUTLIER 'General case' 0 C--N 1.341 0.222 0 N-CA-C 104.894 -2.262 . . . . 0.0 104.894 -150.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.469 HG23 ' CG1' ' A' ' 18' ' ' ILE . 28.8 m 83.0 77.96 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 119.083 0.856 . . . . 0.0 109.127 165.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 9.3 tt -66.63 100.32 0.67 Allowed 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.655 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.894 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 73.2 m-85 -69.5 99.69 1.29 Allowed 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 1.5 tpt180 -93.81 114.16 26.35 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.933 -174.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.467 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 69.6 t80 -74.96 110.3 9.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 173.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.513 ' HB3' HD12 ' A' ' 64' ' ' LEU . 14.2 t70 -111.95 123.77 33.8 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.901 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.12 -2.84 12.87 Favored 'Trans proline' 0 CA--C 1.528 0.19 0 C-N-CA 122.604 2.203 . . . . 0.0 113.417 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.0 t -102.83 -9.94 19.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 61' ' ' ASP . 75.0 mt -79.55 -166.19 0.93 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.157 0.503 . . . . 0.0 110.199 175.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -154.06 -176.47 5.87 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -81.85 -11.96 58.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.49 0.662 . . . . 0.0 109.609 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -99.99 -7.51 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.042 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -117.44 162.1 18.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.37 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.3 t -174.5 -141.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.275 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -100.43 145.78 30.88 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 123.316 0.646 . . . . 0.0 110.105 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.413 ' O ' ' HB ' ' A' ' 72' ' ' THR . 89.0 Cg_exo -45.21 168.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 124.459 3.439 . . . . 0.0 115.729 -176.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 84.2 m 76.94 -57.91 0.52 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.433 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.81 74.1 0.26 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.081 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.3 m -88.23 37.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.932 0.396 . . . . 0.0 110.802 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.89 129.91 36.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.881 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.401 ' HA ' ' HG2' ' A' ' 10' ' ' GLN . 77.7 t80 -81.39 97.72 7.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.484 . . . . 0.0 110.168 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.273 179.61 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.3 pt . . . . . 0 C--O 1.236 0.362 0 N-CA-C 110.512 -0.181 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.15 141.98 97.3 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.706 2.27 . . . . 0.0 111.803 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.757 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 27.6 m-70 -90.56 117.29 29.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.456 ' HA ' ' H ' ' A' ' 75' ' ' LEU . 88.2 m-85 -102.46 -173.99 2.46 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.064 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.741 ' HG2' ' HB2' ' A' ' 76' ' ' TYR . 36.6 mt-30 . . . . . 0 C--N 1.326 -0.432 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.2 0 N-CA-C 113.939 0.336 . . . . 0.0 113.939 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.45 ' CE1' ' HA3' ' A' ' 73' ' ' GLY . 7.4 m-85 -121.24 148.26 44.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.214 0.507 . . . . 0.0 111.59 -175.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 55' ' ' SER . 98.0 mttt -108.91 -22.04 12.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.396 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.93 110.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.777 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.5 mt -106.74 125.09 62.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.865 0.84 . . . . 0.0 111.695 175.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -91.25 137.45 32.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.411 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 pt -135.17 153.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.969 0.414 . . . . 0.0 111.289 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.89 12.62 53.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.748 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.3 m -131.36 165.3 31.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -100.3 -14.88 18.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.658 0.266 . . . . 0.0 111.256 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -103.81 112.22 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -142.2 157.42 44.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.573 ' HG2' ' HB3' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -146.98 136.76 23.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -177.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.5 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 71.3 m -68.57 98.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -171.867 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.828 ' HE1' ' HB3' ' A' ' 54' ' ' CYS . 81.4 m-70 . . . . . 0 CA--C 1.516 -0.327 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 tp -87.62 152.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 -177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.573 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 27.8 p90 -81.52 149.04 28.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.378 176.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.479 HD11 ' HB2' ' A' ' 51' ' ' CYS . 1.8 mp -106.71 111.5 35.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.416 0.627 . . . . 0.0 111.175 -175.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -107.61 108.1 19.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 170.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.4 ttm -80.86 93.96 6.38 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.932 0.396 . . . . 0.0 110.643 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.14 -100.1 0.93 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.064 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -96.73 31.06 2.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 111.371 -175.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 48' ' ' GLU . 1.9 m -133.64 147.83 51.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -74.49 -17.53 60.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.134 0.492 . . . . 0.0 110.245 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HB2' HD21 ' A' ' 57' ' ' LEU . 9.5 pt-20 -137.08 158.19 45.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.207 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -152.45 140.32 20.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.739 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.809 HD11 ' HA ' ' A' ' 55' ' ' SER . 14.0 tt -128.42 151.35 35.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.199 0.523 . . . . 0.0 111.745 -175.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.479 ' HB2' HD11 ' A' ' 41' ' ' ILE . 41.5 t -93.81 106.42 21.59 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 171.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.8 -16.95 47.41 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.171 2.58 . . . . 0.0 113.112 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -89.35 15.78 8.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.836 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.828 ' HB3' ' HE1' ' A' ' 38' ' ' HIS . 20.8 p -156.6 -39.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.809 ' HA ' HD11 ' A' ' 50' ' ' ILE . 69.7 m 69.28 97.73 0.06 Allowed 'General case' 0 C--N 1.337 0.055 0 O-C-N 123.787 0.679 . . . . 0.0 109.45 -169.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.454 ' HA ' ' C ' ' A' ' 16' ' ' LYS . 8.9 m -158.48 42.95 0.27 Allowed 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 -171.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' A' ' 48' ' ' GLU . 7.7 tt -40.67 116.69 0.73 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.991 -166.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.777 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 87.2 m-85 -91.97 113.09 25.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.985 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -118.63 141.52 48.51 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.798 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -93.46 114.09 26.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.02 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -116.05 130.92 24.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.08 -6.09 13.75 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.042 2.495 . . . . 0.0 113.665 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -81.5 -11.56 59.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.174 0.511 . . . . 0.0 110.471 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.3 mt -92.76 -165.94 1.44 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.536 ' HB3' ' OE1' ' A' ' 68' ' ' GLN . 37.0 t -145.72 166.43 25.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.604 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -80.51 2.95 23.23 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -119.54 5.46 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.23 0.538 . . . . 0.0 109.988 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.536 ' OE1' ' HB3' ' A' ' 65' ' ' SER . 21.5 mp0 -124.31 179.35 4.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.491 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 t -156.93 -118.35 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.897 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -100.66 151.32 37.55 Favored Pre-proline 0 N--CA 1.45 -0.472 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.34 131.21 19.95 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.93 2.42 . . . . 0.0 113.245 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 m 75.35 -59.66 0.53 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.716 173.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.45 ' HA3' ' CE1' ' A' ' 15' ' ' TYR . . . -81.21 55.97 4.84 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.469 -173.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.3 p -150.19 163.85 37.19 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.65 -0.324 . . . . 0.0 110.99 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.757 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 13.2 mt 72.31 103.01 0.07 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 124.257 0.973 . . . . 0.0 112.823 173.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.741 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . 64.3 t80 -116.25 97.16 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.043 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.667 178.578 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.5 pt . . . . . 0 C--O 1.236 0.386 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.34 122.3 11.26 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.653 2.235 . . . . 0.0 112.202 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -95.7 142.1 28.4 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 15.6 m-85 -111.76 165.38 12.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.794 0.33 . . . . 0.0 111.568 -171.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HG2' ' N ' ' A' ' 75' ' ' LEU . 4.0 pt20 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.857 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.852 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.402 ' HA ' HD11 ' A' ' 18' ' ' ILE . 54.3 p90 -143.62 -1.44 1.01 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -72.62 -29.31 63.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.353 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.77 110.5 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.619 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 62.3 mt -125.02 129.25 73.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.194 0.521 . . . . 0.0 111.277 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.544 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 41.4 mt-10 -91.36 150.12 21.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.421 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 37.7 pt -141.19 161.55 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.189 0.518 . . . . 0.0 111.364 -175.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -117.89 24.72 8.77 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.259 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.429 HG12 ' CD2' ' A' ' 66' ' ' TYR . 35.2 m -119.73 157.94 21.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.725 -0.237 . . . . 0.0 110.371 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.51 -26.77 11.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.084 0.469 . . . . 0.0 110.944 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.13 122.5 45.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CE2' ' HB ' ' A' ' 41' ' ' ILE . 32.7 p90 -147.74 165.04 31.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.805 0.336 . . . . 0.0 111.084 -174.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.565 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 21.8 ttt -140.97 126.2 18.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.071 176.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.45 135.53 47.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.096 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.24 0.564 0 CA-C-O 121.413 0.625 . . . . 0.0 112.072 -175.446 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HE1' ' O ' ' A' ' 52' ' ' PRO . 13.9 t-160 . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.0 tt -148.3 155.44 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.506 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.565 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 36.5 p90 -103.85 137.38 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.35 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.623 ' HB ' ' CE2' ' A' ' 25' ' ' PHE . 40.5 mt -127.72 148.19 32.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.143 -178.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -113.51 159.9 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.698 0.285 . . . . 0.0 110.257 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.598 ' HG3' ' HE1' ' A' ' 25' ' ' PHE . 51.5 mtt -120.26 39.8 3.62 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.66 -13.23 80.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.472 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -112.82 -61.22 1.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -116.91 151.15 37.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.482 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -90.0 -7.92 52.84 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 50.6 mt-10 -128.81 120.44 26.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.577 177.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -142.37 128.7 19.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.5 tt -87.76 154.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.694 ' HB3' ' O ' ' A' ' 55' ' ' SER . 35.8 t -93.91 123.24 60.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.426 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 36.8 Cg_exo -60.09 153.02 61.21 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.433 2.089 . . . . 0.0 112.276 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 75.96 -16.55 0.59 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 173.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.8 p -153.58 16.96 0.53 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.694 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 68.4 m 62.57 -153.68 0.34 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 55' ' ' SER . 18.4 m 94.93 73.7 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 124.429 1.092 . . . . 0.0 108.793 -176.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 6.5 tt -73.42 99.87 3.08 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.732 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.619 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 91.8 m-85 -75.54 122.34 23.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.97 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.544 ' HD2' ' OE1' ' A' ' 19' ' ' GLU . 38.2 ttm180 -117.26 111.29 19.21 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.589 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 71.5 t80 -81.68 105.43 12.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 9.3 t70 -103.66 128.64 26.94 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 35.8 Cg_exo -61.58 -15.63 42.84 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.268 2.645 . . . . 0.0 113.879 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.9 p -89.25 -6.36 56.87 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.069 0.462 . . . . 0.0 110.493 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 69' ' ' THR . 94.4 mt -92.6 -169.67 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.034 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 45.3 m -152.19 -177.57 6.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.685 0.278 . . . . 0.0 110.776 -178.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.429 ' CD2' HG12 ' A' ' 22' ' ' VAL . 68.8 m-85 -83.74 -20.35 33.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.921 0.391 . . . . 0.0 110.587 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -87.39 -34.44 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.995 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.844 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -114.94 116.52 28.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.027 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.54 ' O ' HD13 ' A' ' 64' ' ' LEU . 6.6 t -92.8 -55.03 3.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.819 -173.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.885 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 3.1 p-10 -140.43 173.29 5.12 Favored Pre-proline 0 C--N 1.315 -0.922 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -177.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.885 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 11.9 Cg_endo -55.0 145.35 63.81 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.597 2.198 . . . . 0.0 112.383 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 86.7 m 80.7 -20.96 0.35 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.631 0.582 . . . . 0.0 110.844 -177.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.14 -70.71 0.2 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.49 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 92.4 m 55.9 83.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.509 0.671 . . . . 0.0 112.704 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.56 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 3.6 pp -138.48 143.08 39.43 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.338 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -118.23 96.95 5.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.271 0.558 . . . . 0.0 110.202 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.448 179.671 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.7 pt . . . . . 0 C--O 1.236 0.354 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -63.35 128.51 22.76 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.574 2.183 . . . . 0.0 111.551 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.573 ' ND1' ' HB3' ' A' ' 76' ' ' TYR . 5.0 p80 -96.34 128.62 43.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.347 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -115.51 166.22 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.283 0.564 . . . . 0.0 112.303 -171.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.919 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 120.184 -0.231 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.48 ' HA ' HD11 ' A' ' 18' ' ' ILE . 59.7 t80 77.99 -31.5 0.16 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.863 0.865 . . . . 0.0 111.515 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -66.41 -44.69 82.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.007 0.432 . . . . 0.0 110.628 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.539 HG23 ' HB3' ' A' ' 57' ' ' LEU . 75.4 mt -132.94 111.84 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.916 176.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 64.9 mt -118.49 123.63 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.22 0.533 . . . . 0.0 112.234 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.721 ' HG3' ' HB2' ' A' ' 59' ' ' ARG . 37.7 mp0 -90.87 131.29 36.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.506 HD12 ' HB ' ' A' ' 22' ' ' VAL . 36.3 pt -136.9 151.15 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -94.18 29.95 8.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.374 174.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.506 ' HB ' HD12 ' A' ' 20' ' ' ILE . 31.0 t -114.29 122.49 68.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.589 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 83.0 tttt -83.99 -13.99 51.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.842 0.353 . . . . 0.0 111.343 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -141.08 109.49 5.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.264 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -134.75 157.98 45.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.641 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -140.52 156.38 46.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.486 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.454 ' N ' ' SD ' ' A' ' 26' ' ' MET . 91.4 m -73.1 123.54 23.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.076 0.465 . . . . 0.0 112.108 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.923 176.749 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 83.9 m-70 . . . . . 0 CA--C 1.518 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 40' ' ' PHE . 11.2 tp -142.55 162.42 18.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.288 -174.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.404 ' N ' HG13 ' A' ' 39' ' ' ILE . 43.7 p90 -91.92 141.85 28.19 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.87 123.03 67.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.703 0.287 . . . . 0.0 110.278 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -121.43 141.94 50.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.899 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.655 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 2.0 mpt? -107.5 33.97 3.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.0 -83.51 0.11 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.085 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.6 m -84.47 -15.35 46.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.906 0.384 . . . . 0.0 110.789 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.542 ' O ' ' HA ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -111.23 114.38 27.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.356 -178.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -74.66 -26.35 59.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.442 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 8.1 pt-20 -141.29 127.39 19.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.219 0.533 . . . . 0.0 111.292 176.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -130.87 131.32 44.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.872 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.524 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 14.5 tt -88.81 159.66 2.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 173.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.579 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 40.6 t -99.05 114.41 65.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.045 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 7.5 Cg_endo -50.49 -35.04 44.36 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.095 2.53 . . . . 0.0 111.722 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.504 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 97.0 m-85 -113.2 84.96 2.09 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.536 173.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.8 m 154.46 -37.78 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.433 1.093 . . . . 0.0 111.232 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.562 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 28.2 m 73.99 -149.18 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 106.085 -1.821 . . . . 0.0 106.085 -153.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 55' ' ' SER . 28.6 m 84.45 79.65 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 172.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.539 ' HB3' HG23 ' A' ' 17' ' ' ILE . 2.9 tt -70.72 99.96 1.79 Allowed 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.125 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 90.3 m-85 -76.66 103.64 6.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.014 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.721 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 82.5 mtt180 -93.89 119.53 32.94 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.352 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.655 ' HB2' ' HG2' ' A' ' 43' ' ' MET . 88.7 t80 -107.14 103.93 13.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.161 0.505 . . . . 0.0 109.811 174.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -108.77 140.79 22.18 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.77 -9.47 9.6 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.914 2.409 . . . . 0.0 113.771 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.4 m -85.15 -15.54 43.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.09 0.472 . . . . 0.0 110.166 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.7 mt -91.25 149.55 21.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.786 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.412 ' H ' ' HB2' ' A' ' 68' ' ' GLN . 37.1 t -127.94 174.64 9.01 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -67.97 -12.64 61.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.026 0.441 . . . . 0.0 111.013 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -96.71 -2.95 43.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.273 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.412 ' HB2' ' H ' ' A' ' 65' ' ' SER . 53.0 mt-30 -128.15 160.68 31.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.561 -177.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -170.63 -131.37 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.912 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.53 ' CG ' ' HD2' ' A' ' 71' ' ' PRO . 21.0 t-20 -100.43 153.13 37.92 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 70' ' ' ASN . 65.4 Cg_exo -27.97 136.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 124.786 3.657 . . . . 0.0 114.427 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.9 m -48.12 128.02 13.32 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.94 -172.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.94 35.52 0.89 Allowed Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -169.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.67 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 2.2 p -124.17 -11.1 7.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.797 -0.701 . . . . 0.0 112.15 -173.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -85.94 145.55 27.09 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.033 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.919 ' HA ' ' HG2' ' A' ' 10' ' ' GLN . 76.6 t80 -81.32 100.03 8.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 110.785 -177.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.3 p30 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.1 -0.955 . . . . 0.0 108.857 171.156 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 pt . . . . . 0 C--O 1.235 0.3 0 CA-C-O 120.475 0.178 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -52.47 141.54 51.21 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.05 2.5 . . . . 0.0 112.321 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.532 ' HB3' ' HB3' ' A' ' 76' ' ' TYR . 34.7 m170 -92.95 112.17 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.301 0.572 . . . . 0.0 111.211 -176.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.547 ' O ' ' HB2' ' A' ' 76' ' ' TYR . 89.3 m-85 -104.31 -174.04 2.45 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.975 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 120.953 0.406 . . . . 0.0 111.237 -170.9 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.826 -0.11 . . . . 0.0 112.826 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.35 127.1 38.82 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.698 ' HA ' ' O ' ' A' ' 55' ' ' SER . 76.6 mttt -81.96 -5.92 58.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -172.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' ' 57' ' ' LEU . 65.4 mt -139.06 110.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 171.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.672 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 30.2 mt -124.92 131.82 72.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.204 0.526 . . . . 0.0 112.222 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -91.41 142.49 27.62 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 69' ' ' THR . 23.9 pt -138.27 158.2 31.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.655 0.264 . . . . 0.0 110.745 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.615 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -96.93 -14.9 41.19 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.141 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 HD12 ' A' ' 20' ' ' ILE . 19.0 m -82.27 142.57 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 0.0 110.643 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HE3' ' HB2' ' A' ' 23' ' ' LYS . 23.2 ttmt -96.99 -6.42 35.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.487 0.661 . . . . 0.0 110.219 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.08 129.59 36.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.743 172.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -148.1 149.99 33.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.286 0.565 . . . . 0.0 111.033 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -146.75 140.34 25.79 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 66.1 m -55.47 119.64 5.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -172.376 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.588 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 14.3 t-160 . . . . . 0 N--CA 1.467 0.401 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.5 tp -148.41 153.86 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -90.89 138.69 31.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.79 0.329 . . . . 0.0 110.5 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -127.86 128.56 69.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.765 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.76 137.59 43.56 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.7 -63.36 1.36 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.015 0.436 . . . . 0.0 110.636 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.37 -79.07 1.08 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.282 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.4 t -117.14 -41.05 3.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.704 0.287 . . . . 0.0 110.333 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 p -85.83 125.04 32.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.931 0.396 . . . . 0.0 110.752 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -80.7 -18.92 46.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.882 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 122.13 36.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.733 0.778 . . . . 0.0 111.909 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -134.05 -170.65 2.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.68 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 tt -137.92 155.69 30.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.85 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 49.7 t -93.83 105.85 18.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -62.27 133.83 45.53 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.634 2.222 . . . . 0.0 111.452 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 70.01 29.64 3.83 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.505 0.503 . . . . 0.0 110.542 -176.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 13.9 m -147.83 -48.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.398 174.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.698 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 25.2 m 66.91 97.98 0.05 Allowed 'General case' 0 C--N 1.34 0.158 0 O-C-N 123.891 0.744 . . . . 0.0 109.74 -173.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.34 40.45 0.1 Allowed 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -169.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.437 ' HB3' HG23 ' A' ' 17' ' ' ILE . 5.3 tt -33.96 100.05 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.712 1.257 . . . . 0.0 111.66 -168.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.85 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 84.9 m-85 -82.7 106.27 14.42 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.759 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -112.54 114.66 27.42 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.986 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -76.25 109.03 9.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 14.6 t70 -91.02 132.68 33.68 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 37.0 Cg_exo -61.7 -12.29 24.42 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.864 2.376 . . . . 0.0 113.414 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 m -87.76 -9.52 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 110.721 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 90.6 mt -96.73 146.24 25.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.941 0.4 . . . . 0.0 110.877 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.615 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 15.1 m -94.94 167.59 11.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.486 175.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -64.72 -17.64 64.31 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -92.46 -3.48 55.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.237 0.541 . . . . 0.0 110.253 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -109.99 -179.27 3.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.439 0.638 . . . . 0.0 111.78 -174.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 20' ' ' ILE . 7.9 t -168.25 -142.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.779 -175.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.823 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -100.37 -178.93 0.74 Allowed Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 176.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.823 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 80.3 Cg_exo -22.84 107.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 124.038 3.158 . . . . 0.0 113.461 -176.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.7 t -62.69 92.93 0.05 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.442 1.115 . . . . 0.0 112.43 -166.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -166.59 21.25 0.11 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.727 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 37.9 t -114.59 24.04 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.697 . . . . 0.0 109.948 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.35 139.21 37.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.285 177.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.547 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 6.4 t80 -84.65 94.63 8.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.083 0.468 . . . . 0.0 109.867 -178.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.659 178.023 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 27.4 pt . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.58 0.229 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 1.1 Cg_endo -81.93 -175.48 2.57 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 123.34 2.694 . . . . 0.0 113.175 -176.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -90.74 124.53 35.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.017 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.678 ' HZ ' HG21 ' A' ' 18' ' ' ILE . 3.7 t80 -102.18 -174.3 2.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.203 -172.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.777 HE21 ' HB2' ' A' ' 76' ' ' TYR . 17.4 mm-40 . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.66 0 N-CA-C 111.896 -0.482 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.456 ' HB2' HD11 ' A' ' 18' ' ' ILE . 42.0 m-85 -143.41 136.73 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -177.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 55' ' ' SER . 57.7 mttp -82.17 -9.14 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.3 mt -137.94 110.87 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.678 HG21 ' HZ ' ' A' ' 9' ' ' PHE . 30.0 mm -112.04 130.68 65.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.533 0.682 . . . . 0.0 112.508 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -91.31 137.69 32.16 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 171.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.486 HG23 HG22 ' A' ' 18' ' ' ILE . 21.3 pt -140.1 159.6 26.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 111.832 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.2 21.7 9.99 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.207 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 66' ' ' TYR . 34.1 m -112.82 148.34 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -96.54 -13.08 23.24 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -143.22 131.34 21.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.791 0.329 . . . . 0.0 111.185 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -166.01 136.05 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.41 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.531 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 24.2 ttt -104.09 126.51 51.25 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 38' ' ' HIS . 34.7 t -54.22 120.98 7.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.494 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.626 -179.023 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.63 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 3.7 t-80 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-O 120.729 0.3 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.503 ' H ' ' CG ' ' A' ' 38' ' ' HIS . 31.3 mm -87.31 136.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 121.745 -0.597 . . . . 0.0 111.554 -164.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.531 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 36.9 p90 -72.52 134.14 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.238 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.544 HG23 ' HD3' ' A' ' 49' ' ' LYS . 82.3 mt -116.78 87.6 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.988 0.899 . . . . 0.0 110.349 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.72 134.11 34.01 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.642 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.9 mtp -99.08 21.52 11.63 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.542 0.687 . . . . 0.0 110.481 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.06 -2.92 68.32 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 172.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -102.97 -31.74 10.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.271 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.5 153.8 34.19 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.72 -21.97 37.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.322 0.582 . . . . 0.0 110.226 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB3' ' HG3' ' A' ' 59' ' ' ARG . 7.4 pt-20 -134.92 109.03 8.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.433 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HD3' HG23 ' A' ' 41' ' ' ILE . 50.5 tttt -117.49 119.01 33.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.154 0.502 . . . . 0.0 110.451 -175.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 14.1 tt -84.97 153.74 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.841 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.429 ' HB2' HD11 ' A' ' 41' ' ' ILE . 49.4 t -93.53 105.7 17.39 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 50' ' ' ILE . 27.1 Cg_exo -62.3 141.06 86.17 Favored 'Trans proline' 0 CA--C 1.519 -0.228 0 C-N-CA 122.864 2.376 . . . . 0.0 111.549 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 68.26 20.93 8.64 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.593 0.558 . . . . 0.0 110.921 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.617 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 55.9 m -142.12 -53.72 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.966 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.583 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 45.5 m 70.95 101.05 0.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.882 0.738 . . . . 0.0 109.871 -171.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -164.85 32.69 0.06 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -171.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 3.2 tt -36.04 102.97 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.123 -1.398 . . . . 0.0 112.101 -164.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.604 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 95.5 m-85 -84.67 113.71 21.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.299 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 48' ' ' GLU . 12.7 ttp180 -114.22 139.84 49.06 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.916 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -89.95 137.54 32.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.319 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -135.05 132.11 20.13 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.969 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.34 -22.29 74.18 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.344 2.696 . . . . 0.0 113.71 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.0 t -79.59 -16.61 55.55 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.232 0.539 . . . . 0.0 110.252 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.4 mt -90.43 166.24 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.713 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.5 m -151.59 -179.3 7.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -175.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.536 ' CD2' HG12 ' A' ' 22' ' ' VAL . 55.5 m-85 -76.4 -19.37 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -80.54 -4.7 54.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 0.0 111.23 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -144.78 -169.03 3.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.743 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 70' ' ' ASN . 4.6 t -153.08 -66.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.938 176.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.514 ' H ' HG23 ' A' ' 69' ' ' THR . 3.8 p-10 -145.96 166.91 15.52 Favored Pre-proline 0 C--N 1.31 -1.124 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 -170.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.29 119.75 7.0 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.862 2.375 . . . . 0.0 110.752 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.1 m 68.4 82.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -167.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.94 130.1 50.33 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.063 -0.971 . . . . 0.0 113.727 -173.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.496 ' HB2' ' HB2' ' A' ' 10' ' ' GLN . 7.0 p -104.62 91.82 4.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.697 0.76 . . . . 0.0 109.551 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mt -133.09 132.37 41.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.209 -174.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.777 ' HB2' HE21 ' A' ' 10' ' ' GLN . 56.3 t80 -102.92 94.34 5.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.018 0.437 . . . . 0.0 111.531 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 p30 . . . . . 0 C--N 1.319 -0.74 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.522 171.074 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.49 133.38 31.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.19 2.593 . . . . 0.0 112.258 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -90.29 97.58 11.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.796 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 74' ' ' CYS . 45.4 m-85 -111.15 159.05 18.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.552 177.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 74' ' ' CYS . 11.7 pt20 . . . . . 0 C--N 1.323 -0.569 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.47 ' O ' ' HA ' ' A' ' 56' ' ' THR . 33.9 t80 -64.79 140.34 58.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.33 . . . . 0.0 110.255 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -63.22 -41.49 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.371 -168.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.4 mt -127.02 110.67 23.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.7 mt -117.1 123.05 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.724 0.773 . . . . 0.0 112.447 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.666 ' HG2' ' HB3' ' A' ' 59' ' ' ARG . 42.0 mt-10 -91.25 139.44 30.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.884 177.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.484 HD12 HG23 ' A' ' 22' ' ' VAL . 16.1 pt -134.67 155.75 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.755 0.312 . . . . 0.0 111.42 -173.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.95 -10.67 68.96 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.27 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.484 HG23 HD12 ' A' ' 20' ' ' ILE . 19.1 m -95.32 151.73 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 122.728 -0.277 . . . . 0.0 110.364 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HZ1' ' HA2' ' A' ' 44' ' ' GLY . 56.1 tttm -92.89 -58.55 2.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.849 0.357 . . . . 0.0 110.77 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -95.86 122.17 38.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -129.78 161.01 31.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 -171.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 ttt -146.99 135.12 21.56 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.68 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 65.4 m -74.32 126.31 30.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 N--CA 1.465 0.316 0 O-C-N 123.584 0.553 . . . . 0.0 111.449 -179.78 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.68 ' HB3' ' HB2' ' A' ' 27' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 tp -87.84 151.3 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.015 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -73.39 120.74 19.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.894 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.4 mt -98.86 86.27 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.32 0.581 . . . . 0.0 110.526 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.52 131.83 38.39 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.424 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.668 ' HB2' ' O ' ' A' ' 46' ' ' THR . 23.7 ptt? -137.31 58.63 1.7 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.879 0.847 . . . . 0.0 110.058 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.64 ' HA2' ' HZ1' ' A' ' 23' ' ' LYS . . . -67.64 -25.39 73.98 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.888 175.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 p -78.42 -77.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.045 0.45 . . . . 0.0 111.111 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.668 ' O ' ' HB2' ' A' ' 43' ' ' MET . 23.6 m -98.57 131.99 44.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.822 178.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.416 ' OD1' ' HE2' ' A' ' 23' ' ' LYS . 10.5 m-20 -80.65 13.54 2.51 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.238 0.542 . . . . 0.0 111.506 -175.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' H ' HG22 ' A' ' 46' ' ' THR . 41.4 mt-10 -133.39 109.16 9.14 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 176.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -143.07 153.42 42.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 110.481 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.817 HD11 ' HA ' ' A' ' 55' ' ' SER . 14.2 tt -116.2 156.83 17.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.493 -176.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.584 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 34.4 t -93.33 105.68 16.83 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 172.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.03 -55.74 2.63 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.903 3.069 . . . . 0.0 113.418 -170.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -90.72 56.58 3.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.433 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 16.4 m -157.98 -51.68 0.07 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.74 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.817 ' HA ' HD11 ' A' ' 50' ' ' ILE . 14.3 t 65.45 89.43 0.1 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -168.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 11.6 m -169.01 56.38 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 -166.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.5 tp -51.01 106.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.543 -170.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 89.8 m-85 -81.23 116.94 21.35 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.1 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.666 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . 20.0 ttt180 -114.37 114.93 26.55 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.734 -174.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -107.15 108.16 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.097 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 16.0 t70 -129.41 138.99 34.36 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.781 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 76.9 Cg_exo -52.32 -18.9 8.53 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.632 2.888 . . . . 0.0 114.683 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -74.64 -22.66 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.946 0.403 . . . . 0.0 110.735 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 19' ' ' GLU . 74.6 mt -80.85 131.82 35.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.769 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -84.03 157.48 21.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -68.61 -29.86 68.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -85.1 6.25 26.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.668 175.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -118.17 163.15 17.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.655 HG21 ' SG ' ' A' ' 74' ' ' CYS . 11.0 t -161.01 -143.44 0.09 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.743 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.405 ' HB3' HG23 ' A' ' 18' ' ' ILE . 8.9 t30 -100.4 140.12 21.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -175.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.63 127.99 26.5 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.175 2.583 . . . . 0.0 112.745 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 p 51.5 81.14 0.08 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.182 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.94 -170.54 42.39 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.236 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.655 ' SG ' HG21 ' A' ' 69' ' ' THR . 14.5 p 50.91 -160.51 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.365 1.066 . . . . 0.0 111.658 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.6 OUTLIER 68.86 89.48 0.1 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.452 173.373 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -81.24 128.31 33.66 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.11 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 m120 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.18 178.561 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 18.9 pt . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.396 0.141 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 52.4 Cg_exo -53.3 125.2 17.68 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.079 2.52 . . . . 0.0 112.403 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -94.38 136.77 34.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.949 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -121.65 147.95 45.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.596 0.236 . . . . 0.0 110.976 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.669 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 4.1 pt20 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.464 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.518 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -85.14 153.12 22.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 10.2 tppt? -91.87 -37.89 12.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.931 0.395 . . . . 0.0 111.297 -175.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 57' ' ' LEU . 76.1 mt -129.75 110.7 20.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.73 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 15.9 mt -103.47 118.62 50.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.688 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -93.33 139.68 30.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.551 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.1 pt -138.45 155.08 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.656 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -90.93 -6.54 67.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.448 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 24' ' ' GLU . 9.3 p -104.57 143.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 50.5 mtpt -96.79 -1.77 45.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 0.0 111.932 -173.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' H ' HG22 ' A' ' 22' ' ' VAL . 6.5 mp0 -128.1 110.89 12.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.211 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 87.5 t80 -154.18 136.9 15.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.221 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.474 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 26.7 ttt -101.6 137.11 40.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.665 0.269 . . . . 0.0 110.3 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.612 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 8.4 t -64.72 120.16 11.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.027 176.734 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 8.4 m-70 . . . . . 0 C--O 1.226 -0.158 0 CA-C-O 121.368 0.604 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.465 ' H ' ' HB3' ' A' ' 38' ' ' HIS . 25.4 mm -102.38 146.21 10.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.194 -175.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.474 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 29.6 p90 -89.39 145.94 25.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.168 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.582 ' HB ' ' O ' ' A' ' 25' ' ' PHE . 2.0 mp -114.55 111.92 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.295 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -115.89 115.69 26.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.267 173.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.644 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 66.2 mtt -85.38 67.07 10.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.277 0.561 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.26 -50.7 3.35 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.724 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -80.08 -57.7 3.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.936 0.398 . . . . 0.0 111.06 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.3 p -107.26 175.2 5.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.985 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -100.41 4.89 44.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 109.315 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -134.17 130.82 37.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.318 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HB2' HG23 ' A' ' 41' ' ' ILE . 56.7 mmtt -138.93 156.94 46.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.817 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 tt -132.55 150.34 33.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.225 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' A' ' 53' ' ' TYR . 16.6 t -93.64 112.29 56.15 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -49.67 -45.11 33.0 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.731 2.287 . . . . 0.0 111.098 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.529 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 55.9 m-85 -91.52 78.04 5.66 Favored 'General case' 0 C--O 1.252 1.209 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.786 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 53' ' ' TYR . 5.3 m 159.84 -44.22 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.974 1.422 . . . . 0.0 112.059 172.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.8 p 51.13 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.87 0.843 . . . . 0.0 109.897 -165.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.529 ' OG1' ' HB3' ' A' ' 54' ' ' CYS . 3.4 m -158.55 46.12 0.31 Allowed 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 -169.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.403 ' HB3' HG23 ' A' ' 17' ' ' ILE . 5.3 tt -41.78 112.84 0.36 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.365 -164.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.73 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 83.7 m-85 -83.85 105.95 15.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.35 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -115.99 129.12 56.23 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.001 -174.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -92.82 131.56 37.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.929 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 20.6 t70 -124.4 137.13 28.67 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 36.5 Cg_exo -61.16 -8.71 10.68 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 122.956 2.438 . . . . 0.0 113.934 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -88.59 -17.36 30.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.251 0.548 . . . . 0.0 109.768 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.2 mt -92.32 122.62 34.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.914 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.467 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 15.5 m -82.91 170.6 14.77 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 174.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -64.38 -23.96 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.081 0.467 . . . . 0.0 111.212 -175.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -87.59 -2.3 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.342 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -106.79 168.86 8.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.149 0.499 . . . . 0.0 111.283 -174.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -161.3 -150.05 0.19 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.836 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.895 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -100.69 174.6 2.85 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-O 119.236 -0.411 . . . . 0.0 110.126 -177.052 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.895 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 5.9 Cg_exo -37.52 150.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 124.751 3.634 . . . . 0.0 115.304 -177.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 m -59.43 141.51 54.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.657 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 137.14 -14.09 3.79 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 -176.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.422 ' HB2' ' H ' ' A' ' 75' ' ' LEU . 6.1 p -100.07 -147.8 0.35 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.681 -0.76 . . . . 0.0 110.405 177.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' H ' ' HB2' ' A' ' 74' ' ' CYS . 2.7 mm? 67.82 96.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.401 0.619 . . . . 0.0 110.79 -173.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.669 ' HD1' ' HB3' ' A' ' 10' ' ' GLN . 49.9 t80 -85.66 89.08 7.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.775 -174.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 171.318 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 26.8 pt . . . . . 0 C--O 1.234 0.285 0 CA-C-O 121.115 0.483 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 21.2 Cg_exo -65.59 128.61 20.48 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.099 2.532 . . . . 0.0 113.269 -175.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -92.51 159.79 15.35 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -123.6 146.66 48.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.417 0.627 . . . . 0.0 112.138 -173.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.544 ' HG2' ' H ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.638 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.642 0 N-CA-C 112.614 -0.194 . . . . 0.0 112.614 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.434 ' HB2' HD11 ' A' ' 18' ' ' ILE . 91.1 m-85 -140.81 121.14 13.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -80.68 -25.82 37.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.437 -175.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 57' ' ' LEU . 72.8 mt -134.55 110.69 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.829 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 24.8 mt -116.43 129.92 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.523 0.678 . . . . 0.0 111.875 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.65 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 40.0 mt-10 -91.33 151.41 20.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.956 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 pt -145.05 153.64 14.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.37 . . . . 0.0 111.05 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.99 36.37 4.41 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.191 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.1 m -134.44 147.69 29.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.587 0.232 . . . . 0.0 110.464 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -95.2 -21.57 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 110.584 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -126.09 120.85 31.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.945 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.54 173.23 16.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.95 0.405 . . . . 0.0 110.494 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.574 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 22.7 ttt -140.66 144.34 35.63 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 38' ' ' HIS . 52.7 t -61.92 149.9 39.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t . . . . . 0 C--O 1.236 0.371 0 O-C-N 123.729 0.643 . . . . 0.0 112.541 -172.385 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.559 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 22.4 m170 . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 120.912 0.387 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.428 ' H ' ' HB3' ' A' ' 38' ' ' HIS . 16.8 tt -102.36 160.53 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.762 -169.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.574 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 49.5 t80 -84.3 140.9 31.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.918 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 51' ' ' CYS . 72.3 mt -127.64 127.42 68.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 0.0 111.058 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 3.3 p30 -99.93 152.84 19.7 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.6 tpp -111.93 20.86 16.56 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.462 0.649 . . . . 0.0 109.397 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.86 58.56 1.8 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.428 -176.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 t -163.89 -83.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 p -86.95 171.46 10.76 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -81.58 -31.06 32.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.938 0.399 . . . . 0.0 110.521 -175.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -125.08 136.07 53.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 42' ' ' ASP . 31.4 mmtp -125.65 139.29 53.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.055 178.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.9 tt -102.4 162.9 3.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.668 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 5.5 t -93.94 117.92 67.24 Favored Pre-proline 0 CA--C 1.511 -0.537 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.72 110.99 0.6 Allowed 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 121.952 1.768 . . . . 0.0 109.348 168.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.453 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 61.5 m-85 69.9 92.12 0.09 Allowed 'General case' 0 C--O 1.247 0.973 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.145 -175.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 2.6 m 159.35 -51.51 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.326 1.45 . . . . 0.0 110.623 173.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 m 63.94 94.27 0.05 Allowed 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.812 0.695 . . . . 0.0 109.33 -169.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 m -159.36 32.79 0.2 Allowed 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 -168.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.442 ' HB3' HG12 ' A' ' 17' ' ' ILE . 48.2 tp -25.67 107.31 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.702 -1.59 . . . . 0.0 112.787 -170.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.829 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 93.1 m-85 -86.81 130.74 34.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.713 -174.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.65 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 6.7 mtt85 -117.71 139.26 51.28 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.649 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -117.17 138.21 51.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.95 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 14.0 t70 -141.1 139.48 19.36 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -57.04 -26.94 71.38 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 123.043 2.496 . . . . 0.0 113.321 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.5 m -80.47 -11.02 59.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 97.3 mt -87.44 104.28 16.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 109.867 177.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -77.11 171.04 15.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.399 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -56.84 -32.74 66.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.959 0.409 . . . . 0.0 111.178 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -90.31 9.29 29.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.4 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -128.99 116.81 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.767 0.318 . . . . 0.0 110.165 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.601 HG23 ' H ' ' A' ' 70' ' ' ASN . 4.5 t -106.02 -67.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.702 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.601 ' H ' HG23 ' A' ' 69' ' ' THR . 30.4 p-10 -151.76 153.59 31.96 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-O 120.964 0.412 . . . . 0.0 110.312 -171.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 11.1 Cg_endo -90.47 107.22 0.34 Allowed 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.928 2.418 . . . . 0.0 111.778 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER 166.4 -67.39 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.606 1.162 . . . . 0.0 109.24 179.09 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.79 102.92 0.7 Allowed Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.765 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.5 m -135.03 -94.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.905 -0.174 . . . . 0.0 110.734 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' GLN . 9.4 mt 61.58 -166.65 0.21 Allowed 'General case' 0 C--O 1.204 -1.325 0 C-N-CA 122.756 0.422 . . . . 0.0 110.261 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -107.25 82.49 1.68 Allowed 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 166.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.544 ' H ' ' HG2' ' A' ' 10' ' ' GLN . 4.7 t-20 . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.306 -171.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.417 HG21 ' HA ' ' A' ' 25' ' ' PHE . 48.7 mm . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.75 123.93 6.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.518 2.812 . . . . 0.0 112.767 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -114.41 127.87 56.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.932 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.476 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 42.1 p90 -102.27 -175.34 2.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.709 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.622 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 12.0 pt20 . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 120.878 0.371 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.13 0 N-CA-C 111.888 -0.485 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -102.94 132.11 49.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.571 -0.37 . . . . 0.0 110.602 -176.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -160.1 -52.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.26 0.552 . . . . 0.0 110.462 174.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 57' ' ' LEU . 70.7 mt -141.89 110.59 2.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.809 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 41.1 mt -123.23 127.82 74.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 119.614 -0.834 . . . . 0.0 112.163 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.679 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 35.2 mt-10 -91.52 154.32 19.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.757 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 69' ' ' THR . 15.1 pt -146.73 163.44 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.179 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.23 16.8 38.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.412 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.34 167.26 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 122.759 -0.259 . . . . 0.0 110.727 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 58.1 mttp -106.48 4.15 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.233 0.54 . . . . 0.0 110.603 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -127.37 127.71 44.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.418 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CE2' ' HB ' ' A' ' 41' ' ' ILE . 43.9 p90 -156.95 166.27 33.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.258 0.551 . . . . 0.0 111.685 -175.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.2 ttt -143.72 146.02 32.86 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 38' ' ' HIS . 75.0 m -50.86 118.5 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.9 t . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 167.103 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 24.9 m170 . . . . . 0 N--CA 1.462 0.16 0 CA-C-O 120.79 0.328 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.05 149.89 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.85 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -82.54 130.26 35.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.581 ' HB ' ' CE2' ' A' ' 25' ' ' PHE . 58.6 mt -119.07 127.64 75.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.988 0.423 . . . . 0.0 111.345 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -94.82 144.12 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.217 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.447 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 41.9 mtt -81.55 88.68 6.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.968 0.413 . . . . 0.0 111.75 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.96 43.48 3.23 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 170.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.8 m -143.51 -175.31 4.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.416 -0.392 . . . . 0.0 109.962 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.6 p -77.23 -75.33 0.21 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -137.64 6.19 2.7 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.079 -175.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HB2' HD21 ' A' ' 57' ' ' LEU . 11.2 pt-20 -148.97 140.16 23.11 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.62 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -158.23 132.95 8.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.311 174.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.497 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 14.2 tt -111.43 151.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.853 0.358 . . . . 0.0 110.961 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.458 ' SG ' ' O ' ' A' ' 53' ' ' TYR . 27.0 t -93.64 110.7 48.8 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.8 -45.71 38.76 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.83 2.353 . . . . 0.0 110.82 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.458 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 66.0 m-85 -79.42 71.54 5.99 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.146 172.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 53' ' ' TYR . 1.4 m 171.99 -63.28 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.536 0.734 . . . . 0.0 111.845 179.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.438 ' HA ' HD11 ' A' ' 50' ' ' ILE . 22.7 t 68.86 88.8 0.11 Allowed 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 -160.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.0 m -173.61 63.72 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 -165.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' HB3' HG23 ' A' ' 17' ' ' ILE . 2.5 tt -59.92 106.61 0.51 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.642 -173.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.809 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 67.2 m-85 -80.05 107.28 12.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 123.662 0.602 . . . . 0.0 110.266 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.679 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 79.7 mtt-85 -101.44 123.17 45.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.047 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 20' ' ' ILE . 17.8 t80 -104.12 101.97 11.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.394 174.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 13.4 t70 -94.6 137.99 22.4 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.008 -177.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.95 -23.18 50.16 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.857 2.371 . . . . 0.0 113.349 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -76.08 -27.44 57.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.202 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 96.1 mt -76.4 141.9 41.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.27 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -98.29 163.0 12.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.574 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -72.29 -2.92 20.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.07 -174.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -102.89 0.12 31.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.596 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.33 170.33 10.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.0 0.428 . . . . 0.0 110.33 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 70' ' ' ASN . 1.5 t -128.92 -70.65 0.66 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.9 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 9.4 p30 -144.16 171.55 6.63 Favored Pre-proline 0 C--N 1.307 -1.259 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -174.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.9 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 25.8 Cg_endo -61.43 175.76 1.44 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.152 2.568 . . . . 0.0 113.62 -174.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.6 m 76.19 -67.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.273 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.7 48.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.151 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.604 ' HB3' ' O ' ' A' ' 10' ' ' GLN . 56.5 m -79.65 85.29 5.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.795 0.331 . . . . 0.0 110.733 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -131.33 120.22 22.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.622 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 24.0 t80 -92.01 114.66 27.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.232 0.539 . . . . 0.0 111.344 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.037 174.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.3 pt . . . . . 0 C--O 1.239 0.502 0 CA-C-O 120.639 0.257 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.34 130.63 29.53 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.389 2.726 . . . . 0.0 113.099 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -122.48 143.4 49.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.941 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -120.77 -174.54 2.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.261 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 1.6 pp0? . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.7 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 68.71 86.73 0.13 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -79.48 6.21 10.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -168.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.4 mt -140.5 110.42 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 170.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 32.2 mt -107.84 131.12 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.435 ' HB3' HD11 ' A' ' 64' ' ' LEU . 42.2 mt-10 -95.31 126.62 40.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.182 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.475 HG23 HG22 ' A' ' 18' ' ' ILE . 16.7 pt -143.68 166.73 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.051 0.453 . . . . 0.0 111.918 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.52 23.85 8.81 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.723 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.74 168.48 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -118.39 -50.75 2.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -100.68 125.75 47.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.112 0.482 . . . . 0.0 110.644 -178.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -166.99 -172.41 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.892 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.4 ttt -130.88 127.54 38.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.901 0.381 . . . . 0.0 110.528 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.94 137.17 58.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.355 175.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.9 t . . . . . 0 C--N 1.324 -0.533 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.731 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.466 ' HE1' ' O ' ' A' ' 53' ' ' TYR . 1.6 t-80 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.0 mm -132.14 133.4 60.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 -171.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.27 120.23 18.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.779 0.323 . . . . 0.0 110.38 176.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm -115.36 134.85 57.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.745 0.307 . . . . 0.0 110.188 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.71 153.74 51.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.482 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.413 ' HE1' HD11 ' A' ' 20' ' ' ILE . 61.1 mtt -129.04 118.56 22.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.757 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.04 -60.41 0.48 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.8 175.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.9 p -121.73 8.74 10.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.0 110.988 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.608 HG21 ' HE3' ' A' ' 49' ' ' LYS . 23.6 p -97.9 132.2 43.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.46 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.11 -30.88 49.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.688 0.756 . . . . 0.0 109.393 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HB2' HD21 ' A' ' 57' ' ' LEU . 9.6 pt-20 -134.14 127.93 33.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.559 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HE3' HG21 ' A' ' 46' ' ' THR . 15.2 mmtp -120.06 110.42 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.328 175.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.8 tt -92.04 156.5 3.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 54' ' ' CYS . 46.1 t -93.95 100.96 5.37 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 10.2 Cg_endo -52.94 -38.46 79.44 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.244 2.629 . . . . 0.0 111.57 -174.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.466 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 27.9 t80 -96.23 71.76 2.82 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.824 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 1.2 m 165.71 -60.25 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.82 0.848 . . . . 0.0 111.745 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 72.5 m 71.0 104.47 0.06 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.733 -160.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.466 ' OG1' ' HB3' ' A' ' 54' ' ' CYS . 1.1 m -165.6 33.0 0.05 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 -171.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 6.5 tt -36.24 101.79 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 113.581 -1.645 . . . . 0.0 112.257 -164.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.615 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 33.2 m-85 -86.78 105.02 16.7 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.075 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -104.64 129.07 52.83 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.723 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -91.2 94.68 9.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.38 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.547 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 14.5 t70 -93.96 136.82 23.37 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.041 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.45 -19.23 63.58 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.017 2.478 . . . . 0.0 113.254 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 t -84.64 -12.94 52.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 0.0 110.216 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.547 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 82.4 mt -88.5 173.56 8.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.5 m -150.95 -169.89 3.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.888 0.375 . . . . 0.0 111.173 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -82.95 -35.42 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.746 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -81.72 -33.57 31.04 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.079 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -111.86 122.69 48.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.606 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 70' ' ' ASN . 5.1 t -117.74 -120.22 0.31 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.744 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.608 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 7.6 p30 -100.35 164.06 17.03 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.465 0.306 . . . . 0.0 110.325 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.608 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 20.2 Cg_endo -60.94 164.29 14.42 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.169 2.58 . . . . 0.0 112.406 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.6 m 72.03 -68.35 0.22 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.365 -175.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 134.57 59.11 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.636 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.484 ' HB3' HD21 ' A' ' 70' ' ' ASN . 52.4 t -76.14 85.32 2.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.245 0.545 . . . . 0.0 109.837 176.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 3.0 pp -152.36 147.53 26.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.466 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -86.2 94.08 9.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.086 0.469 . . . . 0.0 110.931 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.6 t30 . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.458 176.471 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 pt . . . . . 0 C--O 1.236 0.347 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.476 ' HG2' HG21 ' A' ' 22' ' ' VAL . 74.9 Cg_exo -50.93 108.7 0.25 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.323 2.682 . . . . 0.0 113.147 -176.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -100.91 115.87 31.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.637 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.498 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 40.0 m-85 -102.26 177.14 4.96 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.966 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.165 -172.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.352 0 N-CA-C 112.928 -0.069 . . . . 0.0 112.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.612 ' HB3' HD11 ' A' ' 18' ' ' ILE . 2.8 t80 -86.0 121.71 29.01 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.783 ' HG3' ' HB3' ' A' ' 55' ' ' SER . 3.7 ttmp? -74.34 -33.45 63.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -166.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.7 mt -132.65 111.49 17.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.314 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.667 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 28.6 mm -109.11 124.01 65.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.628 ' HG3' ' HB3' ' A' ' 59' ' ' ARG . 10.7 mp0 -91.54 135.85 33.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 170.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.457 HG23 HG22 ' A' ' 18' ' ' ILE . 14.6 pt -144.43 163.85 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.709 0.29 . . . . 0.0 111.066 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.89 11.49 49.23 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.232 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG21 ' HG2' ' A' ' 7' ' ' PRO . 35.8 t -120.34 143.72 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 60.5 mttp -93.16 -24.24 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.664 0.268 . . . . 0.0 111.455 -176.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.69 116.26 31.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.082 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.498 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 63.5 t80 -140.02 145.6 37.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.016 0.436 . . . . 0.0 110.801 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.485 ' HG2' ' HB3' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -126.57 116.61 21.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 175.416 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 27.2 t -80.53 107.98 13.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.139 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.976 178.254 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.781 ' HE1' ' HB2' ' A' ' 54' ' ' CYS . 10.6 t-160 . . . . . 0 C--O 1.225 -0.186 0 CA-C-O 120.627 0.251 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.546 HG21 ' HD2' ' A' ' 52' ' ' PRO . 33.0 mm -146.63 137.55 18.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -171.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.485 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 37.5 p90 -95.91 144.12 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.445 HG23 ' HD3' ' A' ' 49' ' ' LYS . 2.9 mp -120.92 117.69 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.1 0.476 . . . . 0.0 110.143 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -113.39 130.56 56.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.908 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.657 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 65.3 mtt -88.7 90.26 8.33 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.898 0.38 . . . . 0.0 110.552 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.6 -71.1 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.225 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 p -89.55 -5.46 57.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.874 0.369 . . . . 0.0 111.262 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -137.44 151.42 48.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.13 2.28 48.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.331 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 7.9 pt-20 -148.46 119.25 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.57 174.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.445 ' HD3' HG23 ' A' ' 41' ' ' ILE . 71.0 tttt -133.3 138.57 46.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.919 -173.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 13.8 tt -92.91 156.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.546 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 54.0 t -93.66 108.04 31.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.546 ' HD2' HG21 ' A' ' 39' ' ' ILE . 50.1 Cg_exo -53.45 132.54 49.16 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.172 2.581 . . . . 0.0 112.397 -177.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 55.4 59.8 3.72 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.398 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.781 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 1.1 t -169.9 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.979 -173.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.783 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 47.9 m 64.59 97.48 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 O-C-N 123.88 0.737 . . . . 0.0 109.412 -172.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -166.72 35.34 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -170.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 4.5 tt -49.56 113.37 0.81 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.506 -166.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.667 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 69.2 m-85 -86.73 110.61 20.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.667 -174.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.628 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 42.5 ttm-85 -99.99 126.61 46.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.091 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.657 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 65.3 t80 -97.92 134.17 41.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.197 0.522 . . . . 0.0 111.224 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' A' ' 63' ' ' SER . 9.4 t0 -140.71 122.56 9.43 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.347 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.95 -15.33 32.42 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.035 2.49 . . . . 0.0 112.874 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.432 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 37.0 m -82.88 -7.48 59.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 111.034 178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.34 129.07 37.37 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -80.63 160.77 24.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.809 0.338 . . . . 0.0 110.684 -178.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -66.51 -18.35 65.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.096 0.474 . . . . 0.0 110.64 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -90.64 5.89 46.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.683 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -129.83 143.01 50.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.182 0.515 . . . . 0.0 111.478 -174.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -116.93 -138.5 0.36 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.81 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 26.2 p-10 -100.45 -174.17 0.34 Allowed Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.81 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 75.5 Cg_exo -39.34 110.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.26 0 C-N-CA 122.253 1.969 . . . . 0.0 111.537 174.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 m -50.4 98.03 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.17 -165.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.2 14.43 0.85 Allowed Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 114.832 -1.077 . . . . 0.0 110.531 173.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.7 m -152.24 77.66 1.2 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.185 -0.507 . . . . 0.0 109.82 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.02 115.61 11.31 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.434 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 81.7 t80 -110.51 96.66 6.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.225 0.536 . . . . 0.0 111.221 -177.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.6 t30 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.368 172.704 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.2 mm . . . . . 0 C--O 1.234 0.237 0 CA-C-O 120.599 0.237 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -80.79 -178.29 4.31 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.786 2.324 . . . . 0.0 112.642 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 76' ' ' TYR . 37.7 m80 -116.0 138.14 51.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.268 0.556 . . . . 0.0 110.906 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -114.98 -173.9 2.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.785 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.368 -175.011 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -120.05 104.72 10.37 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -92.69 -3.27 55.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.434 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.5 mt -140.12 110.62 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.809 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 48.1 mm -107.05 124.39 62.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.217 0.532 . . . . 0.0 111.443 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.674 ' HG2' ' HB3' ' A' ' 59' ' ' ARG . 77.5 mt-10 -100.26 136.19 40.53 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.5 pt -150.05 157.89 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 123.036 0.21 . . . . 0.0 110.74 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.79 34.73 5.54 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.053 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.0 t -122.83 148.19 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 57.0 mttm -91.68 -39.21 11.97 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.74 0.305 . . . . 0.0 110.639 -178.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -111.74 127.85 55.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.43 ' HE1' ' SD ' ' A' ' 43' ' ' MET . 50.9 p90 -159.81 -177.56 6.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.98 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.572 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 26.2 ttt -133.11 134.91 44.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.872 0.367 . . . . 0.0 110.357 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.5 t -74.25 134.04 42.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.305 179.387 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.1 tt -148.2 155.42 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 37.4 p90 -77.47 134.33 38.37 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.245 0.341 . . . . 0.0 110.616 177.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 61.1 mt -127.97 140.38 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.54 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 5.2 p-10 -134.5 143.06 47.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.0 111.28 179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.513 ' CE ' ' HB3' ' A' ' 49' ' ' LYS . 2.0 mpt? -107.67 125.12 50.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.126 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.09 -77.48 1.05 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.517 170.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -127.82 79.41 1.89 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 173.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 m -137.48 125.59 22.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.365 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.08 -36.81 72.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.127 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HB2' HD21 ' A' ' 57' ' ' LEU . 12.4 pt-20 -156.67 127.84 6.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.943 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.513 ' HB3' ' CE ' ' A' ' 43' ' ' MET . 52.4 tttp -127.43 124.02 37.46 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -176.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 11.3 tt -88.66 154.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.015 0.436 . . . . 0.0 111.453 -173.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.558 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 53.3 t -96.36 103.23 13.29 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 8.7 Cg_endo -50.04 -62.88 0.34 Allowed 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 123.739 2.959 . . . . 0.0 113.825 -171.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -80.69 35.36 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 88.9 m -155.51 -47.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 m 69.66 95.53 0.07 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -164.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.453 HG22 HG12 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -158.32 33.68 0.24 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 -171.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 2.6 tt -37.83 107.92 0.07 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 113.688 -1.596 . . . . 0.0 112.235 -163.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.809 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 94.6 m-85 -85.37 105.84 16.31 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.391 -176.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.674 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . 19.7 ttt180 -94.05 113.92 25.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.383 -177.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -103.7 92.72 4.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.875 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -106.51 138.42 19.73 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.109 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.13 -20.75 14.83 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 123.439 2.76 . . . . 0.0 113.877 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.5 m -73.7 -14.55 61.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.004 0.43 . . . . 0.0 110.604 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.36 -178.53 4.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.954 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.436 ' H ' ' HB2' ' A' ' 68' ' ' GLN . 70.5 m -159.08 -178.1 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.589 -176.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -61.93 -44.16 97.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.879 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -87.78 -1.16 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.348 0.595 . . . . 0.0 110.689 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.436 ' HB2' ' H ' ' A' ' 65' ' ' SER . 76.5 mt-30 -104.92 116.58 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 t -100.08 -131.44 0.24 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.864 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.536 ' C ' HD22 ' A' ' 70' ' ' ASN . 0.3 OUTLIER -100.66 163.81 17.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 122.314 -0.241 . . . . 0.0 110.926 -174.651 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 74.6 Cg_exo -49.13 126.12 14.74 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.142 2.561 . . . . 0.0 111.659 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 87.7 m 67.94 105.62 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 O-C-N 123.582 0.552 . . . . 0.0 109.759 -170.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.08 97.25 0.1 Allowed Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 113.166 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.64 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 41.4 m -92.0 -94.52 0.14 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER 47.13 -175.36 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.309 1.006 . . . . 0.0 112.221 -177.58 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.517 ' HB3' ' HB3' ' A' ' 8' ' ' HIS . 28.5 t80 -113.05 96.71 6.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.133 0.492 . . . . 0.0 110.302 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.371 179.504 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.9 pt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.47 126.11 19.79 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.489 2.126 . . . . 0.0 112.66 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.701 ' HD2' ' HB3' ' A' ' 76' ' ' TYR . 4.8 p-80 -90.68 127.3 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.356 174.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -106.86 172.62 6.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -170.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.459 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 3.8 pt20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.946 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.543 0 CA-C-O 120.256 -0.191 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 68.78 -176.32 0.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.195 0.598 . . . . 0.0 110.65 -176.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' HA ' ' A' ' 56' ' ' THR . 59.2 mttm -128.52 10.49 6.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.37 0.605 . . . . 0.0 110.378 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.7 mt -147.58 110.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.587 173.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.736 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 94.1 mt -107.95 129.46 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.899 175.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.98 137.02 32.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.756 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 13.9 pt -137.46 148.68 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.896 0.379 . . . . 0.0 111.2 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.44 23.23 33.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.206 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.8 m -136.23 146.65 28.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -95.82 6.97 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.998 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -131.74 118.38 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.085 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.644 ' HD1' HD12 ' A' ' 41' ' ' ILE . 52.8 t80 -141.06 157.62 45.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.362 -172.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 23.8 ttt -147.11 150.87 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 169.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.9 m -57.44 -49.54 75.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.587 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.5 t . . . . . 0 N--CA 1.472 0.625 0 C-N-CA 122.96 0.504 . . . . 0.0 110.22 -172.057 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 53' ' ' TYR . 12.8 t-80 . . . . . 0 C--O 1.224 -0.249 0 CA-C-O 120.959 0.409 . . . . 0.0 112.083 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 26' ' ' MET . 22.6 mm -144.66 137.08 21.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.934 -169.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -81.68 130.71 35.15 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.644 HD12 ' HD1' ' A' ' 25' ' ' PHE . 25.0 mt -124.23 85.41 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.857 0.36 . . . . 0.0 111.003 -173.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -107.0 135.59 48.3 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -83.73 -56.7 3.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.435 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.99 -91.31 0.15 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.585 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.3 m -72.88 -34.83 66.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.716 0.293 . . . . 0.0 111.373 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -96.06 165.22 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.193 0.52 . . . . 0.0 111.83 -174.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.62 23.81 13.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.985 0.898 . . . . 0.0 109.217 175.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -163.95 155.0 15.91 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.23 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -165.25 146.67 7.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.384 . . . . 0.0 110.452 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.2 tt -108.31 142.35 21.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 36.8 t -94.12 119.37 66.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.171 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 11.8 Cg_endo -56.24 144.77 80.38 Favored 'Trans proline' 0 C--O 1.239 0.566 0 C-N-CA 122.607 2.204 . . . . 0.0 111.453 177.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.423 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 92.6 m-85 65.84 13.02 8.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.633 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.9 m -134.16 -55.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.154 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.0 m 55.47 87.24 0.05 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.576 0.703 . . . . 0.0 111.395 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.54 ' HA ' ' C ' ' A' ' 16' ' ' LYS . 2.9 m -151.66 57.53 0.87 Allowed 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -30.16 112.17 0.08 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 113.676 -1.602 . . . . 0.0 112.79 -164.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.736 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 71.9 m-85 -85.76 107.34 17.57 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.508 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 59' ' ' ARG . 17.1 tpt85 -101.46 121.65 42.34 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.673 -174.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -92.62 97.31 10.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.092 0.472 . . . . 0.0 109.825 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 11.2 m-20 -90.9 131.66 36.74 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.629 176.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.24 -12.48 35.01 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.385 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -84.86 -9.96 57.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.382 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 61' ' ' ASP . 93.3 mt -89.53 170.42 10.51 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.67 -178.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 m -153.41 -160.81 1.16 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.78 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -67.22 -41.41 85.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.737 0.303 . . . . 0.0 110.855 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -92.61 -47.09 7.28 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.396 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -84.53 116.62 23.23 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.756 ' OG1' ' HA ' ' A' ' 20' ' ' ILE . 3.0 t -151.2 -59.93 0.17 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.329 0.585 . . . . 0.0 110.525 -175.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.706 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 8.2 p30 -152.52 165.92 16.49 Favored Pre-proline 0 C--N 1.312 -1.042 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.706 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 18.9 Cg_endo -60.31 134.29 54.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 123.024 2.483 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 28.0 m 80.5 142.28 0.07 Allowed 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.827 0.704 . . . . 0.0 110.8 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.95 109.83 1.65 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.467 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.678 ' SG ' HG21 ' A' ' 69' ' ' THR . 30.1 p -76.86 -10.27 59.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.628 0.251 . . . . 0.0 111.532 -176.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.8 mm? -78.63 130.13 35.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.701 ' HB3' ' HD2' ' A' ' 8' ' ' HIS . 37.4 t80 -80.71 94.75 6.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.437 0.636 . . . . 0.0 109.998 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 p30 . . . . . 0 C--N 1.32 -0.715 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.212 -179.91 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 pt . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.93 136.98 73.34 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.348 2.032 . . . . 0.0 111.604 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -107.66 155.65 19.92 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -116.74 159.88 21.61 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--N 1.322 -0.598 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 178.375 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -128.61 108.58 10.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 55' ' ' SER . 91.7 mttt -102.65 -5.59 23.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.463 -173.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.7 mt -143.42 110.35 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.701 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 70.6 mt -124.23 119.44 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.205 0.526 . . . . 0.0 111.57 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 33.8 mt-10 -92.9 132.43 37.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.883 176.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.458 HD12 HG23 ' A' ' 22' ' ' VAL . 24.8 pt -133.84 155.45 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.805 0.336 . . . . 0.0 111.413 -174.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -95.79 17.99 58.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.539 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.458 HG23 HD12 ' A' ' 20' ' ' ILE . 30.5 m -124.41 176.29 5.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.782 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 39.5 ttmt -115.8 -25.79 7.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.209 0.528 . . . . 0.0 110.537 -176.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.8 104.63 12.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.266 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -146.73 152.26 38.52 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.449 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 26.2 ttt -114.46 128.37 56.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.967 0.413 . . . . 0.0 110.574 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.424 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 8.5 t -69.82 125.15 25.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.623 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.32 -0.704 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.25 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.575 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 10.5 t-160 . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 120.773 0.321 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.5 mm -144.02 134.37 20.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.01 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.449 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 37.3 p90 -76.54 138.28 40.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.45 HG13 ' CD2' ' A' ' 58' ' ' TYR . 47.4 mm -119.25 110.35 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.156 0.503 . . . . 0.0 110.833 -178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -105.73 130.72 53.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.501 174.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.782 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 61.5 mtt -95.85 95.24 8.13 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.33 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.66 62.72 3.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.873 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.0 m 63.62 91.57 0.07 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.214 0.606 . . . . 0.0 111.096 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.9 t -161.72 164.61 28.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.37 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.79 -43.74 21.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.25 0.547 . . . . 0.0 109.761 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -159.22 147.85 18.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.425 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -136.55 133.59 36.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.776 0.322 . . . . 0.0 110.405 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 5.8 tt -79.82 167.87 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.457 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.9 t -119.39 111.37 36.6 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.828 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -58.96 145.25 98.03 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.853 2.368 . . . . 0.0 112.836 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.559 ' O ' ' HB3' ' A' ' 54' ' ' CYS . 70.1 m-85 69.74 32.76 3.14 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.987 172.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.575 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 14.5 p 172.79 -27.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 170.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 48.0 m 69.49 139.67 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.552 0.691 . . . . 0.0 109.866 -168.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.463 ' H ' ' H ' ' A' ' 57' ' ' LEU . 4.3 m -167.18 -18.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER 27.55 88.61 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 113.472 -1.695 . . . . 0.0 113.589 169.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.701 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 79.4 m-85 -88.17 117.1 26.83 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.228 0.537 . . . . 0.0 110.341 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.494 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 36.3 mtp180 -106.82 140.95 38.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.814 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.469 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 69.7 t80 -119.28 98.75 6.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.399 0.619 . . . . 0.0 110.603 177.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.513 ' H ' HD12 ' A' ' 64' ' ' LEU . 10.2 t70 -100.56 133.73 21.09 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.03 -18.5 13.51 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.055 2.503 . . . . 0.0 113.785 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.8 p -83.81 -9.44 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.218 -0.301 . . . . 0.0 111.374 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 61' ' ' ASP . 84.5 mt -83.36 115.59 22.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.499 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 41.3 m -66.5 158.92 28.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -69.88 -3.57 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -115.26 4.97 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.174 0.511 . . . . 0.0 110.108 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -97.99 154.96 17.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.446 -174.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.522 HG21 HD21 ' A' ' 75' ' ' LEU . 14.6 t -148.39 -161.52 1.36 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.767 -176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.531 ' HB3' HG23 ' A' ' 18' ' ' ILE . 26.4 t-20 -100.67 138.91 20.22 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 6.1 Cg_exo -77.37 -172.43 1.45 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 124.139 3.226 . . . . 0.0 114.5 -168.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.1 m 83.29 73.78 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.072 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 49.88 55.61 14.24 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.847 -0.615 . . . . 0.0 113.542 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.6 p -101.29 -175.64 2.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -175.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.522 HD21 HG21 ' A' ' 69' ' ' THR . 3.7 mm? 73.19 123.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.711 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -101.93 83.06 2.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.591 -171.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 48.7 mm . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.63 0.252 . . . . 0.0 110.374 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 24.3 Cg_exo -63.45 135.89 52.01 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.897 2.398 . . . . 0.0 112.994 -177.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -125.24 153.02 43.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 42.8 m-85 -117.23 177.67 4.64 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.732 -172.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.438 HE21 ' HB2' ' A' ' 10' ' ' GLN . 1.3 pt20 . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 120.685 0.279 . . . . 0.0 110.598 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.691 0 CA-C-O 119.979 -0.345 . . . . 0.0 112.437 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 12.6 m-85 73.5 122.26 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.321 0.659 . . . . 0.0 111.27 -175.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 55' ' ' SER . 64.2 mttp -99.54 3.81 45.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.218 176.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -140.6 110.77 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.582 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.768 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 26.6 mm -108.42 121.52 61.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.722 0.772 . . . . 0.0 111.505 173.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.24 130.3 44.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.518 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' A' ' 9' ' ' PHE . 1.5 pp -149.04 164.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.936 0.398 . . . . 0.0 111.708 -174.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.28 19.6 31.71 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.421 ' O ' HD13 ' A' ' 20' ' ' ILE . 39.3 t -109.56 125.03 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 34.9 mtmt -93.14 -22.56 19.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.008 0.433 . . . . 0.0 110.941 -175.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -130.15 104.62 7.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.603 -171.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -156.63 171.52 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.343 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.556 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -112.22 120.48 41.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.25 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.631 ' HB3' ' O ' ' A' ' 39' ' ' ILE . 2.6 t -73.98 137.47 43.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.119 0.485 . . . . 0.0 111.614 -176.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 CA--C 1.546 0.824 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.689 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.476 ' HE1' ' O ' ' A' ' 52' ' ' PRO . 13.2 t-80 . . . . . 0 CA--C 1.529 0.139 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.631 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 51.1 mt -147.79 127.28 4.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.009 -173.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 54.5 p90 -77.6 142.13 39.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.996 0.427 . . . . 0.0 110.839 -176.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.5 mm -113.37 127.07 70.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -131.48 111.8 12.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.344 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.704 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mpt? -75.06 82.83 2.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.988 0.423 . . . . 0.0 110.511 176.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.09 72.12 1.14 Allowed Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.832 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.4 m 66.85 13.41 9.4 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.148 0.579 . . . . 0.0 111.466 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 t -104.49 156.23 18.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.183 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.63 -35.81 22.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.6 -174.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.508 ' HB2' HD21 ' A' ' 57' ' ' LEU . 10.6 pt-20 -139.21 145.14 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.889 0.376 . . . . 0.0 111.411 -177.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -144.12 136.12 26.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.027 174.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 55' ' ' SER . 14.8 tt -104.36 144.99 13.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.426 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 44.4 t -93.63 115.55 65.24 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 178.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.476 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 31.5 Cg_exo -58.95 147.41 89.81 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.775 2.317 . . . . 0.0 110.886 176.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 62.81 34.23 14.65 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.437 0.461 . . . . 0.0 110.438 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.1 m -155.1 -49.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.068 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.621 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 13.0 p 48.02 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.71 0.767 . . . . 0.0 110.12 -166.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.431 HG22 HG12 ' A' ' 18' ' ' ILE . 3.0 m -158.77 41.69 0.24 Allowed 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 -169.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 48' ' ' GLU . 8.5 tt -40.22 114.22 0.43 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 113.822 -1.536 . . . . 0.0 112.163 -165.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.768 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 71.4 m-85 -91.12 113.71 26.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.637 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 ttp85 -109.63 126.36 53.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.905 0.383 . . . . 0.0 110.674 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -96.94 100.97 12.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.858 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.98 133.56 21.24 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.2 -11.16 7.38 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.542 2.828 . . . . 0.0 114.412 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.1 p -77.75 -16.96 58.05 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 110.304 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.4 -173.54 2.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.934 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 t -165.69 -167.98 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -69.42 -33.71 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.919 0.39 . . . . 0.0 110.649 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -94.96 -23.82 17.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.37 116.92 25.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.958 0.409 . . . . 0.0 110.505 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 t -115.56 -143.51 0.38 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.748 -175.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.596 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 4.2 p-10 -100.22 162.66 20.21 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 122.48 0.312 . . . . 0.0 111.537 -171.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.596 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 7.6 Cg_endo -50.19 149.77 11.69 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.669 2.913 . . . . 0.0 112.78 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.9 m 74.07 -49.25 0.67 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.218 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 108.38 105.65 3.01 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.304 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.1 m -130.25 89.83 2.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.086 0.47 . . . . 0.0 110.564 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 3.1 pp -138.39 151.29 47.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.871 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -84.29 102.51 12.73 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.256 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.701 178.26 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.9 pt . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.55 0.214 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.2 117.84 4.71 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.792 2.328 . . . . 0.0 112.321 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 65.3 m80 -90.83 133.66 35.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -110.75 156.73 20.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.756 0.313 . . . . 0.0 111.316 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 8.8 pt20 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.132 177.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.7 p90 -162.47 157.93 23.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -162.42 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.473 HG23 HD22 ' A' ' 57' ' ' LEU . 71.4 mt -137.43 110.47 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.077 169.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 62.9 mt -108.84 117.92 55.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.131 0.491 . . . . 0.0 111.5 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 64' ' ' LEU . 37.8 mt-10 -91.45 128.25 37.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.01 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 pt -125.84 147.21 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 111.135 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.13 31.77 8.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.648 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 t -120.59 149.31 23.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HD3' ' HB2' ' A' ' 43' ' ' MET . 3.2 tmtm? -83.98 -32.01 25.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.069 0.461 . . . . 0.0 110.389 -175.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -124.19 140.94 52.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.048 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -155.79 167.84 29.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.434 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 19.3 ttt -146.48 141.69 27.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.869 0.366 . . . . 0.0 110.473 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.76 135.41 48.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.076 -175.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.544 0.735 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.431 178.714 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 53' ' ' TYR . 2.8 t-80 . . . . . 0 N--CA 1.469 0.486 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.434 ' O ' ' HG3' ' A' ' 26' ' ' MET . 30.1 mm -144.19 130.86 16.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.035 -173.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -71.75 130.67 41.68 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.496 0.498 . . . . 0.0 109.67 174.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -121.79 88.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.366 0.603 . . . . 0.0 110.465 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.78 155.77 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.643 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.547 ' HB2' ' HD3' ' A' ' 23' ' ' LYS . 13.8 mmt -119.92 45.82 2.08 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.538 -176.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.74 -46.72 59.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.602 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.2 t -169.42 98.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.783 HG21 ' HG3' ' A' ' 49' ' ' LYS . 17.0 m -155.11 -40.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.867 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 77.39 -52.37 0.54 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.068 0.947 . . . . 0.0 110.368 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' HB2' HD21 ' A' ' 57' ' ' LEU . 4.2 pt-20 -132.04 113.41 13.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.762 176.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.783 ' HG3' HG21 ' A' ' 46' ' ' THR . 9.3 tttp -116.25 114.55 24.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -173.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.552 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.2 tt -84.73 141.58 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.7 t -95.36 121.8 61.03 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.328 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.11 153.98 42.36 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 122.842 2.362 . . . . 0.0 111.828 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.9 m-85 61.52 26.61 16.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.612 -178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 55' ' ' SER . 86.9 m -149.69 -69.14 0.2 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 49.4 m 70.44 117.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -160.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.433 ' H ' ' H ' ' A' ' 57' ' ' LEU . 6.9 t 177.84 -14.71 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -165.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 5.4 tt 27.7 87.47 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 125.131 1.519 . . . . 0.0 113.024 172.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.605 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 78.4 m-85 -80.35 116.33 20.37 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -110.77 121.9 46.47 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.006 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -84.19 88.01 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 19.5 t70 -94.62 122.06 61.69 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.516 -173.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 26.9 Cg_exo -62.68 -17.48 59.1 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.083 2.522 . . . . 0.0 113.564 -176.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -81.43 -7.74 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.509 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 19' ' ' GLU . 98.1 mt -86.64 -165.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -152.67 168.92 24.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.11 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -63.69 -25.24 68.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.191 0.519 . . . . 0.0 110.285 175.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -98.0 -6.72 31.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.354 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -133.59 116.52 15.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.865 0.364 . . . . 0.0 110.939 -173.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 t -116.05 -122.28 0.29 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 7.2 t30 -100.44 134.15 20.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 10.9 Cg_exo -69.55 106.87 1.7 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.517 2.145 . . . . 0.0 111.38 -177.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.0 m 172.46 146.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -173.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.68 70.92 0.17 Allowed Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.027 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 53.7 m -82.7 -153.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.731 0.413 . . . . 0.0 111.054 -176.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 3.2 mm? 64.18 95.61 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.838 0.711 . . . . 0.0 111.623 -177.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.451 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 3.9 t80 -88.29 89.47 8.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.151 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 p30 . . . . . 0 C--N 1.319 -0.746 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.488 175.877 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.2 pt . . . . . 0 C--O 1.235 0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.4 120.46 8.13 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.985 2.457 . . . . 0.0 112.445 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.479 ' HD2' ' HB3' ' A' ' 76' ' ' TYR . 19.4 p-80 -130.9 124.17 30.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.373 177.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 38.3 m-85 -112.0 -179.46 3.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.009 -171.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.548 ' HG2' ' H ' ' A' ' 75' ' ' LEU . 10.1 pt20 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.302 -175.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.414 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.427 ' OH ' HG21 ' A' ' 72' ' ' THR . 35.4 m-85 -96.88 133.79 41.05 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -176.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -84.83 -20.13 31.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.423 -174.48 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.415 HG23 ' HB3' ' A' ' 57' ' ' LEU . 65.9 mt -134.75 110.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 172.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.679 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.1 mt -112.18 117.24 54.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.723 0.773 . . . . 0.0 111.552 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -91.38 140.04 30.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.783 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 pt -145.08 160.9 13.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.699 0.285 . . . . 0.0 110.232 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -100.22 22.76 38.65 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.619 175.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 24' ' ' GLU . 13.0 t -118.35 140.35 42.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -178.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 35.2 ttmt -94.62 -19.16 20.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.096 0.474 . . . . 0.0 110.834 -175.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.418 ' H ' HG12 ' A' ' 22' ' ' VAL . 40.3 mt-10 -117.07 111.3 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.043 177.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -139.84 144.9 37.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.01 0.433 . . . . 0.0 111.07 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.515 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 18.2 ttt -120.03 127.32 52.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 38' ' ' HIS . 7.5 p -77.09 87.41 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.473 -175.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t . . . . . 0 C--O 1.233 0.201 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.745 177.567 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.611 ' HE1' ' HB2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.7 tt -97.3 151.45 4.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 112.064 -167.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.515 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 37.1 p90 -83.28 139.41 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.007 176.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.7 mt -123.1 114.36 41.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.31 0.576 . . . . 0.0 111.323 -176.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -94.39 129.13 41.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.347 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.56 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 66.2 mtt -77.19 -40.05 46.61 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.813 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.05 -111.7 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.003 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.6 m -111.23 73.82 0.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.05 0.452 . . . . 0.0 110.68 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 p -142.66 165.04 28.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.528 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -95.93 -41.61 8.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.47 0.652 . . . . 0.0 109.752 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -149.27 137.52 20.75 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.604 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -140.6 133.89 29.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.83 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.528 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 13.4 tt -108.4 156.84 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.1 0.476 . . . . 0.0 110.909 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 43.8 t -94.37 110.2 47.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 172.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -48.29 -43.86 30.71 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.802 2.335 . . . . 0.0 111.661 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.611 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 64.7 m-85 -98.12 87.58 3.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.234 173.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.7 m 165.7 -52.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.188 0.995 . . . . 0.0 109.958 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.592 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 39.2 m 60.3 84.25 0.13 Allowed 'General case' 0 C--N 1.339 0.116 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 -168.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 m -167.11 60.41 0.08 Allowed 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 -168.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 1.3 tt -52.88 108.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.597 -170.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.679 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 35.0 m-85 -83.83 101.79 11.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.571 -177.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -93.64 125.31 38.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.05 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.558 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 57.3 t80 -81.28 91.72 6.26 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -94.22 122.9 60.45 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.345 -170.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.61 -14.62 22.1 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.975 2.45 . . . . 0.0 113.487 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -14.15 38.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.981 0.419 . . . . 0.0 110.391 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.9 mt -84.95 -164.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.656 172.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.437 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 12.7 p -140.0 164.49 29.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.612 0.244 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' GLY . 97.3 m-85 -64.13 -24.34 67.65 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.993 -174.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -102.58 18.16 21.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.082 0.467 . . . . 0.0 110.233 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -124.96 142.54 51.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.162 -173.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.421 ' HB ' ' CZ ' ' A' ' 9' ' ' PHE . 9.1 t -108.9 -141.81 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.461 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -100.34 155.67 36.13 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.62 107.0 1.55 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.314 2.009 . . . . 0.0 112.128 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.427 HG21 ' OH ' ' A' ' 15' ' ' TYR . 22.8 m 177.98 -53.31 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.418 1.087 . . . . 0.0 108.734 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.52 44.48 0.47 Allowed Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.179 -174.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.9 m -92.62 120.19 32.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.792 -0.204 . . . . 0.0 110.558 -176.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.548 ' H ' ' HG2' ' A' ' 10' ' ' GLN . 3.3 pp -166.96 134.07 2.43 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.479 ' HB3' ' HD2' ' A' ' 8' ' ' HIS . 46.1 t80 -102.35 93.03 4.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.6 178.334 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 35.5 pt . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.551 0.215 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.58 136.44 58.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.803 2.335 . . . . 0.0 112.098 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.59 121.66 32.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.667 0.746 . . . . 0.0 111.831 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 96.2 m-85 -102.38 -173.97 2.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.632 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.418 HE21 ' HA ' ' A' ' 74' ' ' CYS . 16.5 mt-30 . . . . . 0 C--N 1.323 -0.552 0 CA-C-O 121.212 0.529 . . . . 0.0 111.009 -172.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.52 ' CD1' HD11 ' A' ' 18' ' ' ILE . 74.6 m-85 -143.48 164.71 29.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 56' ' ' THR . 21.2 tptm -136.85 -36.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 110.691 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 57' ' ' LEU . 75.7 mt -135.66 115.88 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.9 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 32.6 mm -122.78 126.96 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -176.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.49 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 40.3 mt-10 -91.36 146.25 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.411 175.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.16 163.97 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.351 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.81 29.38 7.5 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.272 -178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.6 t -125.41 132.64 70.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -73.31 -27.51 61.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 111.565 -176.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.98 105.61 11.22 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -116.39 153.12 32.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.092 0.472 . . . . 0.0 110.965 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.543 ' SD ' ' HA ' ' A' ' 40' ' ' PHE . 11.1 tpt -147.17 145.09 29.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 9.2 m -70.95 150.74 45.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 175.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.078 174.741 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 27' ' ' CYS . 90.1 m-70 . . . . . 0 CA--C 1.513 -0.466 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.5 tp -101.31 152.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 O-C-N 123.427 0.454 . . . . 0.0 110.293 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.543 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 6.7 p90 -76.16 145.87 39.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.606 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.31 111.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 111.75 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.99 112.42 24.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.67 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.1 mmt -77.81 -65.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.007 0.432 . . . . 0.0 110.249 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.52 -107.89 1.71 Allowed Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.389 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 p -93.63 -9.19 38.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.83 0.347 . . . . 0.0 111.299 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.595 ' HB ' ' HE2' ' A' ' 49' ' ' LYS . 22.6 m -106.64 110.57 22.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' TYR . 49.7 m-20 -72.77 -41.46 65.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -169.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.409 ' HB2' HD21 ' A' ' 57' ' ' LEU . 16.8 pt-20 -111.14 125.7 54.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.087 0.47 . . . . 0.0 112.047 -173.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.595 ' HE2' ' HB ' ' A' ' 46' ' ' THR . 68.0 mttm -144.88 137.38 26.23 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.367 176.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 13.7 tt -94.88 161.59 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 41.6 t -99.88 113.66 65.25 Favored Pre-proline 0 N--CA 1.461 0.12 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.233 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -52.46 -32.13 51.37 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.833 2.356 . . . . 0.0 111.815 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.461 ' O ' ' SG ' ' A' ' 54' ' ' CYS . 54.7 m-85 -111.93 80.1 1.29 Allowed 'General case' 0 C--O 1.247 0.962 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.348 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 2.3 m 158.15 -54.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 O-C-N 124.848 1.342 . . . . 0.0 110.13 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.548 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 54.1 p 86.43 -151.55 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 -148.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 10.4 m 85.27 71.77 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 167.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 1.4 tt -59.91 104.37 0.29 Allowed 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.953 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.9 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 65.2 m-85 -83.87 110.91 18.75 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 123.788 0.68 . . . . 0.0 109.59 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 31.2 mtm180 -104.0 114.95 29.57 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 83.0 t80 -86.16 93.45 9.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 172.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.544 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 11.7 t0 -82.89 125.02 76.27 Favored Pre-proline 0 C--N 1.317 -0.805 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -59.64 -12.91 19.29 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.929 2.419 . . . . 0.0 112.824 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m -82.83 -12.99 57.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.91 0.386 . . . . 0.0 110.485 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 94.2 mt -87.37 -171.11 3.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.608 ' HB3' HE21 ' A' ' 68' ' ' GLN . 47.9 t -158.61 174.23 15.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -175.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.69 -25.73 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.533 . . . . 0.0 110.671 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -93.82 2.67 56.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.524 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.608 HE21 ' HB3' ' A' ' 65' ' ' SER . 0.8 OUTLIER -123.49 142.67 50.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.145 0.497 . . . . 0.0 111.309 -176.582 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -132.52 -150.1 0.4 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.675 ' ND2' HG23 ' A' ' 18' ' ' ILE . 5.6 p30 -100.33 165.22 14.84 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -175.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.547 ' O ' HG23 ' A' ' 72' ' ' THR . 45.3 Cg_endo -90.99 106.69 0.29 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 122.827 2.352 . . . . 0.0 112.453 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.7 p -169.29 -63.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 109.527 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 133.3 51.61 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.685 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 75' ' ' LEU . 77.6 m -78.29 -151.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.487 -0.357 . . . . 0.0 111.723 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 2.7 mt 70.79 110.88 0.06 Allowed 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.988 0.805 . . . . 0.0 111.667 -175.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -85.75 108.69 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.102 0.477 . . . . 0.0 110.669 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 p30 . . . . . 0 C--N 1.318 -0.762 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.193 174.688 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptp . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.828 0.347 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.69 132.33 53.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.948 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 68.52 2.59 3.44 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 123.829 0.706 . . . . 0.0 112.609 177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 61.9 t80 53.91 72.76 0.42 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.575 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -134.35 94.7 3.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.397 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.594 HD11 ' HB2' ' A' ' 26' ' ' MET . 13.5 pt -87.41 154.9 54.3 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.86 -178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.33 145.96 53.35 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.262 2.642 . . . . 0.0 113.675 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 26' ' ' MET . 97.8 m-70 -125.13 141.25 52.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.851 177.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.579 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 74.0 m-85 -115.71 154.91 28.71 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 176.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.527 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 9.6 pt20 -117.83 126.27 52.09 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.061 -173.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.44 112.58 23.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.671 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.437 ' CG ' HD23 ' A' ' 13' ' ' LEU . 27.7 p-10 -67.36 -55.88 12.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.552 HD21 ' HE1' ' A' ' 15' ' ' TYR . 0.6 OUTLIER -120.99 -26.34 5.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.402 167.351 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 109.42 94.54 2.32 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.405 178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.552 ' HE1' HD21 ' A' ' 13' ' ' LEU . 11.5 m-30 -82.39 139.87 33.8 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -69.47 -30.31 68.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.906 -170.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 62.5 mt -127.79 110.47 22.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.541 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 26.7 mm -105.61 130.53 56.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.35 0.595 . . . . 0.0 112.597 177.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' H ' ' HB3' ' A' ' 70' ' ' ASN . 26.2 mm-40 -91.45 121.55 33.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.839 177.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.46 HG23 HG22 ' A' ' 18' ' ' ILE . 46.4 pt -127.67 148.3 32.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.825 0.345 . . . . 0.0 111.018 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.96 14.31 57.3 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.606 -177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.7 m -121.79 147.36 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.7 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 58.1 mttp -101.95 -0.12 34.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.911 0.386 . . . . 0.0 111.06 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -117.03 124.05 48.35 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 73.4 t80 -146.95 147.17 30.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.261 0.553 . . . . 0.0 111.624 -176.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.594 ' HB2' HD11 ' A' ' 6' ' ' ILE . 13.4 tpt -131.22 116.6 17.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.433 173.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.442 ' O ' ' HB2' ' A' ' 37' ' ' PRO . 51.8 t -68.85 139.63 55.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.443 -175.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 29' ' ' GLY . 11.3 t -86.28 166.4 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.844 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.442 ' N ' HG12 ' A' ' 28' ' ' VAL . . . 167.06 -35.25 0.22 Allowed Glycine 0 N--CA 1.45 -0.373 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 67.0 -86.62 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.462 0.705 . . . . 0.0 111.529 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.1 p -93.29 90.01 6.62 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.259 0.552 . . . . 0.0 110.445 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 29.6 mm-40 -128.0 157.16 74.77 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.52 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 32' ' ' GLN . 12.3 Cg_exo -72.72 -14.56 27.09 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.934 2.422 . . . . 0.0 111.374 174.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -84.21 154.9 22.78 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 29.8 t0 -78.47 142.92 37.12 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.752 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 92.1 m-70 76.04 174.39 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.566 0 O-C-N 123.894 0.747 . . . . 0.0 109.577 -173.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.752 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 78.6 Cg_exo -41.69 -42.26 6.14 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 123.1 2.533 . . . . 0.0 113.831 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -160.24 -78.43 0.06 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.288 171.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.504 HG21 ' HD2' ' A' ' 52' ' ' PRO . 9.2 tp -148.15 150.94 13.85 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.42 175.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.469 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 8.3 p90 -91.19 134.37 34.61 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.611 0.243 . . . . 0.0 110.372 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.89 134.2 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.037 0.446 . . . . 0.0 111.524 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -134.03 150.52 51.22 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.7 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 52.6 mtt -97.49 -70.84 0.71 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.079 177.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.73 -106.52 1.58 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.11 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.8 m -92.82 -11.6 33.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.182 0.515 . . . . 0.0 110.606 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.1 p -108.24 100.48 9.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.358 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.906 ' HB3' ' HB3' ' A' ' 60' ' ' TYR . 25.2 m-20 -81.79 -1.92 49.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.249 0.547 . . . . 0.0 110.438 -177.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.66 109.05 17.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.295 176.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -141.41 116.83 10.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.89 0.376 . . . . 0.0 111.423 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.652 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 14.2 tt -90.23 153.89 3.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.807 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 52.5 t -93.68 121.52 64.48 Favored Pre-proline 0 C--N 1.321 -0.644 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.537 179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.504 ' HD2' HG21 ' A' ' 39' ' ' ILE . 54.7 Cg_exo -52.82 128.58 29.14 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 122.928 2.418 . . . . 0.0 111.659 176.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 61.09 56.19 2.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.977 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.0 m -157.87 -46.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.248 178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.8 m 61.54 85.37 0.12 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.486 0.66 . . . . 0.0 109.353 -171.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 8.4 m -168.88 47.71 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -167.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.652 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 4.2 tt -53.17 107.01 0.19 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.943 -168.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.807 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 74.1 m-85 -79.75 104.37 10.29 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.514 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.1 ttp180 -107.34 128.4 54.42 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.4 -176.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.906 ' HB3' ' HB3' ' A' ' 47' ' ' ASP . 42.8 t80 -95.45 122.81 38.56 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 175.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 13.3 t70 -122.85 133.76 24.65 Favored Pre-proline 0 C--N 1.322 -0.617 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.323 -178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 69.5 Cg_exo -53.32 -26.04 33.25 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 123.342 2.694 . . . . 0.0 113.996 -177.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.4 p -75.53 -17.28 60.13 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.237 -177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 61' ' ' ASP . 1.8 pp -118.46 144.79 45.74 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 177.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -122.81 -168.75 1.8 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.09 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -61.48 -22.4 65.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.103 0.478 . . . . 0.0 111.431 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -91.51 7.22 42.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.398 -178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -132.66 176.25 8.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.998 0.428 . . . . 0.0 111.177 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 t -161.92 -148.22 0.14 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.317 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.458 ' HB3' ' H ' ' A' ' 19' ' ' GLU . 3.7 p-10 -100.78 167.97 10.0 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.557 0.218 . . . . 0.0 111.066 -173.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.444 ' O ' ' HB ' ' A' ' 72' ' ' THR . 47.5 Cg_exo -56.88 130.56 40.49 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.631 2.221 . . . . 0.0 111.547 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 51.1 m 76.53 137.74 0.06 Allowed 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.858 0.724 . . . . 0.0 110.587 -173.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -71.41 82.72 0.46 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 121.19 -0.529 . . . . 0.0 112.988 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 69.1 m -89.63 13.78 13.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.942 0.401 . . . . 0.0 111.104 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.93 135.44 33.4 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 176.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.527 ' HD1' ' HB3' ' A' ' 10' ' ' GLN . 62.7 t80 -81.2 124.74 29.54 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 6.5 p30 -113.41 115.89 46.76 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.513 -174.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 9.3 Cg_exo -71.83 129.44 15.44 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.954 2.436 . . . . 0.0 110.32 171.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -102.76 -59.41 1.71 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.874 0.368 . . . . 0.0 110.951 -169.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 89.8 mt -119.81 -20.3 7.64 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.942 -177.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.49 ' CD ' ' H ' ' A' ' 81' ' ' GLU . 1.6 pm0 -76.32 86.84 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.632 0.73 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -139.16 131.12 27.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.486 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -112.86 134.87 54.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.028 173.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -86.86 40.8 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.907 0.384 . . . . 0.0 110.731 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 58.32 80.55 0.18 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.519 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -83.92 129.0 34.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.505 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.724 177.023 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.89 43.93 29.17 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.331 0.586 . . . . 0.0 109.918 -175.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -74.16 145.99 43.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.32 -0.855 . . . . 0.0 113.152 -169.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -108.22 5.57 25.86 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.264 -1.334 . . . . 0.0 108.47 170.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -85.88 71.04 10.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.27 -173.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.9 pt -129.64 153.07 80.69 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.36 175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.42 99.65 0.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.374 2.049 . . . . 0.0 111.65 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.501 ' CD2' ' H ' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -90.35 119.11 30.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.304 0.573 . . . . 0.0 110.789 179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 95.2 m-85 -102.4 173.08 6.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.996 -176.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 1.5 pp0? -147.18 137.87 23.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.841 -178.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -131.81 92.9 3.21 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.857 0.836 . . . . 0.0 110.855 172.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -89.23 -24.9 22.0 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.474 172.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.43 9.74 33.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.876 -175.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.41 -95.27 1.67 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.166 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.487 ' HB2' HD11 ' A' ' 18' ' ' ILE . 18.3 m-85 65.9 113.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.311 0.576 . . . . 0.0 111.158 -175.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.91 -50.53 62.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.257 -173.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.0 mt -122.36 110.84 28.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 120.596 -0.441 . . . . 0.0 109.912 177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 15' ' ' TYR . 17.9 mt -108.0 123.64 63.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.398 176.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' HG3' ' HB3' ' A' ' 59' ' ' ARG . 30.6 mp0 -91.29 138.21 31.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.992 0.425 . . . . 0.0 110.778 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 39.2 pt -137.7 157.14 33.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.49 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.08 28.17 17.26 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.105 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 t -127.5 142.85 42.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 -177.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -87.35 -29.57 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.721 0.296 . . . . 0.0 111.69 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' HB3' ' HZ ' ' A' ' 40' ' ' PHE . 30.0 mt-10 -124.79 115.74 21.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.938 0.399 . . . . 0.0 110.803 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.416 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 45.2 t80 -145.03 141.12 28.62 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.387 -177.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.708 ' HB2' ' HD1' ' A' ' 40' ' ' PHE . 19.6 ttt -125.41 132.27 52.78 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 38' ' ' HIS . 78.2 m -61.16 123.82 18.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.167 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.4 t -67.58 141.09 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.154 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -156.57 -147.93 4.91 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.925 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.52 156.02 33.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.693 0.282 . . . . 0.0 110.504 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 m -82.9 76.99 9.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.135 0.493 . . . . 0.0 110.588 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -155.82 164.68 20.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.853 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.19 139.84 86.43 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.577 2.185 . . . . 0.0 111.821 176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.676 ' HA ' ' HG2' ' A' ' 37' ' ' PRO . 94.0 m-85 -84.37 88.48 7.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.577 0.703 . . . . 0.0 111.055 -174.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.27 -52.97 2.71 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.813 -1.085 . . . . 0.0 110.072 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.779 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 21.2 t-80 -102.77 -33.44 0.21 Allowed Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.296 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.779 ' HD2' ' H ' ' A' ' 36' ' ' HIS . 13.3 Cg_endo -58.8 -144.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.365 1.445 0 C-N-CA 122.608 2.205 . . . . 0.0 114.225 174.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.542 ' CE1' ' SG ' ' A' ' 54' ' ' CYS . 10.9 m-70 -95.56 -172.44 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.239 -171.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.412 HG12 ' N ' ' A' ' 40' ' ' PHE . 17.4 tt -128.87 169.79 19.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.453 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.708 ' HD1' ' HB2' ' A' ' 26' ' ' MET . 92.5 t80 -84.01 125.86 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 176.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.44 HG23 ' CD ' ' A' ' 49' ' ' LYS . 3.7 mp -98.81 107.35 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.469 -179.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.28 139.83 46.35 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.467 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 47.3 mtm -111.37 39.23 2.36 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.187 0.517 . . . . 0.0 110.935 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.87 -23.35 57.85 Favored Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 p -83.92 -64.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.165 -0.518 . . . . 0.0 110.493 177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.8 p -120.93 150.77 40.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.005 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -83.8 15.59 3.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.221 0.534 . . . . 0.0 111.49 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.516 ' HB2' HD21 ' A' ' 57' ' ' LEU . 10.4 pt-20 -153.48 133.24 13.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.161 175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' CD ' HG23 ' A' ' 41' ' ' ILE . 8.3 tttp -143.92 123.8 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.263 -176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 11.3 tt -84.31 157.52 3.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 175.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.894 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 48.5 t -104.72 112.0 65.27 Favored Pre-proline 0 C--N 1.33 -0.265 0 C-N-CA 119.431 -0.908 . . . . 0.0 109.63 178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 4.4 Cg_endo -47.65 -47.16 18.96 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.065 2.51 . . . . 0.0 111.75 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -101.74 79.51 1.93 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.26 175.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.69 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.3 m 164.49 -46.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 O-C-N 124.167 0.917 . . . . 0.0 110.954 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.557 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 19.3 m 77.14 -151.28 0.03 OUTLIER 'General case' 0 C--N 1.341 0.222 0 N-CA-C 104.894 -2.262 . . . . 0.0 104.894 -150.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.469 HG23 ' CG1' ' A' ' 18' ' ' ILE . 28.8 m 83.0 77.96 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 119.083 0.856 . . . . 0.0 109.127 165.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 9.3 tt -66.63 100.32 0.67 Allowed 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.655 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.894 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 73.2 m-85 -69.5 99.69 1.29 Allowed 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 176.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 1.5 tpt180 -93.81 114.16 26.35 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.933 -174.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.467 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 69.6 t80 -74.96 110.3 9.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 173.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.513 ' HB3' HD12 ' A' ' 64' ' ' LEU . 14.2 t70 -111.95 123.77 33.8 Favored Pre-proline 0 C--N 1.317 -0.847 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.901 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.12 -2.84 12.87 Favored 'Trans proline' 0 CA--C 1.528 0.19 0 C-N-CA 122.604 2.203 . . . . 0.0 113.417 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.0 t -102.83 -9.94 19.51 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 61' ' ' ASP . 75.0 mt -79.55 -166.19 0.93 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.157 0.503 . . . . 0.0 110.199 175.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 m -154.06 -176.47 5.87 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -81.85 -11.96 58.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.49 0.662 . . . . 0.0 109.609 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -99.99 -7.51 25.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.042 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -117.44 162.1 18.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.37 -176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.3 t -174.5 -141.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.275 -176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -100.43 145.78 30.88 Favored Pre-proline 0 C--N 1.32 -0.705 0 C-N-CA 123.316 0.646 . . . . 0.0 110.105 -174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.413 ' O ' ' HB ' ' A' ' 72' ' ' THR . 89.0 Cg_exo -45.21 168.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 124.459 3.439 . . . . 0.0 115.729 -176.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 84.2 m 76.94 -57.91 0.52 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.433 -178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.81 74.1 0.26 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.081 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 61.3 m -88.23 37.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.932 0.396 . . . . 0.0 110.802 -178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -89.89 129.91 36.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.881 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.401 ' HA ' ' HG2' ' A' ' 10' ' ' GLN . 77.7 t80 -81.39 97.72 7.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.484 . . . . 0.0 110.168 -179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.482 ' OD1' ' HB2' ' A' ' 79' ' ' LYS . 6.1 p30 -137.18 152.72 74.14 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.273 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 10.3 Cg_exo -72.47 62.71 3.63 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.981 2.454 . . . . 0.0 112.028 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.482 ' HB2' ' OD1' ' A' ' 77' ' ' ASN . 88.6 tttt -80.84 125.69 30.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.303 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 85.7 mt -77.73 91.36 4.07 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.815 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -115.74 -164.66 0.97 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.859 176.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -73.73 55.65 0.52 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 110.342 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.687 ' HB3' ' HA ' ' A' ' 87' ' ' HIS . 13.8 m-70 57.41 88.96 0.05 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.561 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -80.17 -65.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.396 -172.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -113.24 16.71 19.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.507 0.67 . . . . 0.0 110.435 -175.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -156.65 95.26 1.53 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.135 -0.939 . . . . 0.0 108.895 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.687 ' HA ' ' HB3' ' A' ' 83' ' ' HIS . 10.3 t60 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.79 -0.624 . . . . 0.0 110.111 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.914 0.387 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.05 167.55 21.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.65 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -118.28 -33.86 4.25 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.999 0.428 . . . . 0.0 110.693 -176.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -107.26 34.22 3.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.256 0.55 . . . . 0.0 110.243 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -91.71 132.24 36.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.068 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 31.3 pt -82.26 154.06 69.18 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.512 176.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.15 141.98 97.3 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.706 2.27 . . . . 0.0 111.803 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.757 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 27.6 m-70 -90.56 117.29 29.12 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.456 ' HA ' ' H ' ' A' ' 75' ' ' LEU . 88.2 m-85 -102.46 -173.99 2.46 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.064 -176.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.741 ' HG2' ' HB2' ' A' ' 76' ' ' TYR . 36.6 mt-30 -112.49 168.04 9.97 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.475 ' OD1' ' HG ' ' A' ' 13' ' ' LEU . 1.8 t-20 -80.73 160.02 25.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.626 0.727 . . . . 0.0 112.024 -167.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -88.83 12.48 15.0 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 114.591 -1.186 . . . . 0.0 112.063 -171.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' HG ' ' OD1' ' A' ' 11' ' ' ASN . 90.4 mt -76.9 -18.39 58.34 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.22 -13.1 22.09 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.188 -1.006 . . . . 0.0 113.939 -173.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.45 ' CE1' ' HA3' ' A' ' 73' ' ' GLY . 7.4 m-85 -121.24 148.26 44.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.214 0.507 . . . . 0.0 111.59 -175.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 55' ' ' SER . 98.0 mttt -108.91 -22.04 12.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.396 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.93 110.66 12.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.777 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.5 mt -106.74 125.09 62.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.865 0.84 . . . . 0.0 111.695 175.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -91.25 137.45 32.36 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.411 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 pt -135.17 153.22 33.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.969 0.414 . . . . 0.0 111.289 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.89 12.62 53.05 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.026 -0.607 . . . . 0.0 111.748 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.3 m -131.36 165.3 31.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -100.3 -14.88 18.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.658 0.266 . . . . 0.0 111.256 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -103.81 112.22 25.08 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -142.2 157.42 44.88 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.573 ' HG2' ' HB3' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -146.98 136.76 23.12 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -177.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.5 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 71.3 m -68.57 98.65 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.6 t -35.81 113.65 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -171.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.01 164.31 34.21 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.442 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.76 168.52 17.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.84 0.32 . . . . 0.0 110.886 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.66 118.8 7.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.694 -177.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.447 ' HB2' ' HD2' ' A' ' 33' ' ' PRO . 29.9 pt20 -171.04 174.33 1.6 Allowed Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 32' ' ' GLN . 51.9 Cg_exo -55.14 126.3 22.09 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 121.678 1.585 . . . . 0.0 110.523 170.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -104.58 0.76 28.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.949 0.404 . . . . 0.0 111.196 -173.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -89.24 6.48 40.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.407 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.755 ' HB3' ' HD3' ' A' ' 37' ' ' PRO . 51.7 t-80 -130.63 -56.64 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 119.473 -0.299 . . . . 0.0 111.748 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.755 ' HD3' ' HB3' ' A' ' 36' ' ' HIS . 26.2 Cg_exo -64.68 -69.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 122.107 1.872 . . . . 0.0 112.304 178.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.828 ' HE1' ' HB3' ' A' ' 54' ' ' CYS . 81.4 m-70 -149.77 127.08 11.4 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.016 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.7 tp -87.62 152.56 3.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 -177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.573 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 27.8 p90 -81.52 149.04 28.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.378 176.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.479 HD11 ' HB2' ' A' ' 51' ' ' CYS . 1.8 mp -106.71 111.5 35.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.416 0.627 . . . . 0.0 111.175 -175.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -107.61 108.1 19.21 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 170.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 50.4 ttm -80.86 93.96 6.38 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.932 0.396 . . . . 0.0 110.643 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.14 -100.1 0.93 Allowed Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.922 -0.656 . . . . 0.0 113.064 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -96.73 31.06 2.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 111.371 -175.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 48' ' ' GLU . 1.9 m -133.64 147.83 51.48 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -74.49 -17.53 60.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.134 0.492 . . . . 0.0 110.245 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.411 ' HB2' HD21 ' A' ' 57' ' ' LEU . 9.5 pt-20 -137.08 158.19 45.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.207 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -152.45 140.32 20.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.739 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.809 HD11 ' HA ' ' A' ' 55' ' ' SER . 14.0 tt -128.42 151.35 35.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.199 0.523 . . . . 0.0 111.745 -175.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.479 ' HB2' HD11 ' A' ' 41' ' ' ILE . 41.5 t -93.81 106.42 21.59 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 171.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.8 -16.95 47.41 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.171 2.58 . . . . 0.0 113.112 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -89.35 15.78 8.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.836 -177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.828 ' HB3' ' HE1' ' A' ' 38' ' ' HIS . 20.8 p -156.6 -39.63 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 178.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.809 ' HA ' HD11 ' A' ' 50' ' ' ILE . 69.7 m 69.28 97.73 0.06 Allowed 'General case' 0 C--N 1.337 0.055 0 O-C-N 123.787 0.679 . . . . 0.0 109.45 -169.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.454 ' HA ' ' C ' ' A' ' 16' ' ' LYS . 8.9 m -158.48 42.95 0.27 Allowed 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 105.731 -1.952 . . . . 0.0 105.731 -171.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' A' ' 48' ' ' GLU . 7.7 tt -40.67 116.69 0.73 Allowed 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 113.496 -1.684 . . . . 0.0 111.991 -166.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.777 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 87.2 m-85 -91.97 113.09 25.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.985 -178.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 64.7 ttt-85 -118.63 141.52 48.51 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.798 -176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -93.46 114.09 26.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.02 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -116.05 130.92 24.04 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.08 -6.09 13.75 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.042 2.495 . . . . 0.0 113.665 -176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.3 m -81.5 -11.56 59.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.174 0.511 . . . . 0.0 110.471 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.3 mt -92.76 -165.94 1.44 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.816 -178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.536 ' HB3' ' OE1' ' A' ' 68' ' ' GLN . 37.0 t -145.72 166.43 25.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.604 -179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -80.51 2.95 23.23 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -119.54 5.46 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.23 0.538 . . . . 0.0 109.988 175.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.536 ' OE1' ' HB3' ' A' ' 65' ' ' SER . 21.5 mp0 -124.31 179.35 4.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.491 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.9 t -156.93 -118.35 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.897 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -100.66 151.32 37.55 Favored Pre-proline 0 N--CA 1.45 -0.472 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -70.34 131.21 19.95 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.93 2.42 . . . . 0.0 113.245 -177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 m 75.35 -59.66 0.53 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.716 173.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.45 ' HA3' ' CE1' ' A' ' 15' ' ' TYR . . . -81.21 55.97 4.84 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.469 -173.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 25.3 p -150.19 163.85 37.19 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.65 -0.324 . . . . 0.0 110.99 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.757 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 13.2 mt 72.31 103.01 0.07 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 124.257 0.973 . . . . 0.0 112.823 173.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.741 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . 64.3 t80 -116.25 97.16 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.043 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.518 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 84.7 m-20 -121.07 123.41 27.84 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.667 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.518 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 11.7 Cg_exo -72.16 -4.95 16.16 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 123.138 2.558 . . . . 0.0 113.003 -176.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -107.76 103.35 12.6 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mp -122.09 158.14 29.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.315 -176.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -85.29 155.35 21.39 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 176.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -121.1 -24.83 5.44 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.779 0.323 . . . . 0.0 111.716 -172.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.685 ' HD2' ' HB2' ' A' ' 85' ' ' HIS . 36.7 t60 -121.48 -15.72 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.944 -174.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.1 p80 50.8 31.21 5.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.019 0.928 . . . . 0.0 111.911 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.685 ' HB2' ' HD2' ' A' ' 83' ' ' HIS . 29.6 t-80 -67.15 -36.51 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.76 178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -74.75 111.67 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.183 173.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 65.5 t60 . . . . . 0 C--O 1.245 0.855 0 CA-C-O 118.669 -0.682 . . . . 0.0 110.063 178.715 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.479 0.999 0 CA-C-O 120.789 0.328 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.26 128.64 40.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.148 -179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -98.63 105.63 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -79.52 86.76 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.357 0.599 . . . . 0.0 110.704 -174.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -111.54 102.07 10.44 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.489 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.5 pt -103.27 153.81 38.16 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.883 176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -54.34 122.3 11.26 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.653 2.235 . . . . 0.0 112.202 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -95.7 142.1 28.4 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.496 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 15.6 m-85 -111.76 165.38 12.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.794 0.33 . . . . 0.0 111.568 -171.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HG2' ' N ' ' A' ' 75' ' ' LEU . 4.0 pt20 -126.29 151.61 47.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.857 179.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 6.1 p-10 -94.91 94.44 8.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.515 0.674 . . . . 0.0 111.235 -178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -88.8 -66.98 0.87 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.947 0.404 . . . . 0.0 110.923 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD21 ' HG2' ' A' ' 71' ' ' PRO . 3.0 pp -81.16 -9.93 59.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.455 -177.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.61 -179.92 26.92 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.44 ' HB3' ' HB3' ' A' ' 11' ' ' ASN . 54.3 p90 -143.62 -1.44 1.01 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -72.62 -29.31 63.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.509 -0.477 . . . . 0.0 110.353 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.77 110.5 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.619 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 62.3 mt -125.02 129.25 73.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.194 0.521 . . . . 0.0 111.277 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.544 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 41.4 mt-10 -91.36 150.12 21.42 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.421 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 37.7 pt -141.19 161.55 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.189 0.518 . . . . 0.0 111.364 -175.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -117.89 24.72 8.77 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.259 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.429 HG12 ' CD2' ' A' ' 66' ' ' TYR . 35.2 m -119.73 157.94 21.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.725 -0.237 . . . . 0.0 110.371 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.51 -26.77 11.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.084 0.469 . . . . 0.0 110.944 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.13 122.5 45.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.623 ' CE2' ' HB ' ' A' ' 41' ' ' ILE . 32.7 p90 -147.74 165.04 31.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.805 0.336 . . . . 0.0 111.084 -174.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.565 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 21.8 ttt -140.97 126.2 18.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.071 176.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.7 t -71.45 135.53 47.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.096 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 m -83.27 -178.72 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-O 121.413 0.625 . . . . 0.0 112.072 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.522 ' HA3' ' NE2' ' A' ' 32' ' ' GLN . . . 163.85 159.08 10.48 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.03 -0.987 . . . . 0.0 110.788 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.3 -65.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.261 0.531 . . . . 0.0 111.015 -178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.6 m -116.93 94.85 4.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.181 0.515 . . . . 0.0 110.988 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.522 ' NE2' ' HA3' ' A' ' 29' ' ' GLY . 46.7 mt-30 -139.73 139.49 22.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.006 175.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 32' ' ' GLN . 12.6 Cg_exo -70.5 64.57 2.24 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 123.115 2.543 . . . . 0.0 112.775 -177.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -140.32 6.59 2.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.003 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.74 -58.23 0.49 Allowed 'General case' 0 N--CA 1.478 0.951 0 O-C-N 123.88 0.738 . . . . 0.0 111.341 -174.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -86.59 153.98 55.98 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.924 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -26.47 -68.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 C-N-CA 125.202 3.935 . . . . 0.0 114.535 -174.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' HE1' ' O ' ' A' ' 52' ' ' PRO . 13.9 t-160 -143.46 -98.27 0.11 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.863 170.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 15.0 tt -148.3 155.44 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.506 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.565 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 36.5 p90 -103.85 137.38 41.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.35 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.623 ' HB ' ' CE2' ' A' ' 25' ' ' PHE . 40.5 mt -127.72 148.19 32.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.143 -178.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -113.51 159.9 19.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.698 0.285 . . . . 0.0 110.257 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.598 ' HG3' ' HE1' ' A' ' 25' ' ' PHE . 51.5 mtt -120.26 39.8 3.62 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.66 -13.23 80.49 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.472 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 m -112.82 -61.22 1.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -116.91 151.15 37.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.482 -176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -90.0 -7.92 52.84 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.518 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 50.6 mt-10 -128.81 120.44 26.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.74 0.305 . . . . 0.0 110.577 177.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -142.37 128.7 19.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.078 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.5 tt -87.76 154.38 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.694 ' HB3' ' O ' ' A' ' 55' ' ' SER . 35.8 t -93.91 123.24 60.06 Favored Pre-proline 0 C--N 1.329 -0.297 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.426 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 36.8 Cg_exo -60.09 153.02 61.21 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.433 2.089 . . . . 0.0 112.276 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 75.96 -16.55 0.59 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 173.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 26.8 p -153.58 16.96 0.53 Allowed 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.694 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 68.4 m 62.57 -153.68 0.34 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.404 ' CB ' ' O ' ' A' ' 55' ' ' SER . 18.4 m 94.93 73.7 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 124.429 1.092 . . . . 0.0 108.793 -176.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 6.5 tt -73.42 99.87 3.08 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.732 177.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.619 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 91.8 m-85 -75.54 122.34 23.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.97 178.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.544 ' HD2' ' OE1' ' A' ' 19' ' ' GLU . 38.2 ttm180 -117.26 111.29 19.21 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.633 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.589 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 71.5 t80 -81.68 105.43 12.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.472 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 9.3 t70 -103.66 128.64 26.94 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 35.8 Cg_exo -61.58 -15.63 42.84 Favored 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 123.268 2.645 . . . . 0.0 113.879 -178.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.9 p -89.25 -6.36 56.87 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.069 0.462 . . . . 0.0 110.493 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 69' ' ' THR . 94.4 mt -92.6 -169.67 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.034 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 45.3 m -152.19 -177.57 6.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.685 0.278 . . . . 0.0 110.776 -178.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.429 ' CD2' HG12 ' A' ' 22' ' ' VAL . 68.8 m-85 -83.74 -20.35 33.54 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.921 0.391 . . . . 0.0 110.587 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -87.39 -34.44 18.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.995 176.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.844 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -114.94 116.52 28.65 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.027 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.54 ' O ' HD13 ' A' ' 64' ' ' LEU . 6.6 t -92.8 -55.03 3.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.819 -173.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.885 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 3.1 p-10 -140.43 173.29 5.12 Favored Pre-proline 0 C--N 1.315 -0.922 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -177.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.885 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 11.9 Cg_endo -55.0 145.35 63.81 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.597 2.198 . . . . 0.0 112.383 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 86.7 m 80.7 -20.96 0.35 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.631 0.582 . . . . 0.0 110.844 -177.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 109.14 -70.71 0.2 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.49 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 92.4 m 55.9 83.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.509 0.671 . . . . 0.0 112.704 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.56 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 3.6 pp -138.48 143.08 39.43 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.338 178.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -118.23 96.95 5.54 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.271 0.558 . . . . 0.0 110.202 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -92.15 118.92 68.38 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.448 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.02 93.62 0.22 Allowed 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.611 2.207 . . . . 0.0 112.455 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -86.65 68.58 10.19 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.679 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 73.7 mt -119.34 -116.76 0.32 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.585 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -86.71 -33.76 19.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.2 t60 63.51 29.48 15.34 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.096 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -104.36 -51.64 3.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.816 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -135.31 134.15 39.59 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -172.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -76.34 21.45 0.18 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -174.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 21.9 p80 174.2 -172.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 . . . . . 0 C--N 1.317 -0.831 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 173.523 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 N--CA 1.481 1.116 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.46 24.51 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.298 0.57 . . . . 0.0 110.195 176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.0 103.06 3.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.14 -177.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -112.88 128.91 56.59 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -80.9 119.11 23.03 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.7 pt -79.14 156.54 76.56 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.125 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -63.35 128.51 22.76 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.574 2.183 . . . . 0.0 111.551 176.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.573 ' ND1' ' HB3' ' A' ' 76' ' ' TYR . 5.0 p80 -96.34 128.62 43.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.347 -178.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -115.51 166.22 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.283 0.564 . . . . 0.0 112.303 -171.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.919 ' HG2' ' HA ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -165.89 146.32 6.61 Favored 'General case' 0 C--O 1.22 -0.492 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.482 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.414 HD22 ' HA ' ' A' ' 11' ' ' ASN . 2.3 t-20 -129.14 118.6 22.7 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.4 -177.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -82.1 -48.96 10.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.852 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 2.8 pp -74.09 -23.98 59.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -171.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.43 ' N ' HD12 ' A' ' 13' ' ' LEU . . . -132.27 -84.48 0.27 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.329 -0.938 . . . . 0.0 112.572 -178.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.48 ' HA ' HD11 ' A' ' 18' ' ' ILE . 59.7 t80 77.99 -31.5 0.16 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.863 0.865 . . . . 0.0 111.515 178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -66.41 -44.69 82.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.007 0.432 . . . . 0.0 110.628 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.539 HG23 ' HB3' ' A' ' 57' ' ' LEU . 75.4 mt -132.94 111.84 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.916 176.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 64.9 mt -118.49 123.63 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.22 0.533 . . . . 0.0 112.234 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.721 ' HG3' ' HB2' ' A' ' 59' ' ' ARG . 37.7 mp0 -90.87 131.29 36.59 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.506 HD12 ' HB ' ' A' ' 22' ' ' VAL . 36.3 pt -136.9 151.15 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.763 0.316 . . . . 0.0 111.131 -178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -94.18 29.95 8.22 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.374 174.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.506 ' HB ' HD12 ' A' ' 20' ' ' ILE . 31.0 t -114.29 122.49 68.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.589 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 83.0 tttt -83.99 -13.99 51.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.842 0.353 . . . . 0.0 111.343 -175.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -141.08 109.49 5.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.264 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -134.75 157.98 45.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.641 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 27' ' ' CYS . 0.0 OUTLIER -140.52 156.38 46.34 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.486 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.454 ' N ' ' SD ' ' A' ' 26' ' ' MET . 91.4 m -73.1 123.54 23.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.076 0.465 . . . . 0.0 112.108 -177.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.02 141.95 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.923 176.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 120.06 -83.65 0.36 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.603 178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.4 48.45 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.496 0.665 . . . . 0.0 109.704 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 m -75.09 97.91 3.55 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.368 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.837 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 97.0 mt-30 -132.44 176.2 3.1 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.837 ' HD2' ' HB3' ' A' ' 32' ' ' GLN . 45.0 Cg_exo -30.65 117.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 C-N-CA 123.951 3.101 . . . . 0.0 113.363 177.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -74.34 87.45 2.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.91 -169.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -159.61 -52.21 0.06 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.251 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.755 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 75.8 m-70 -115.75 -57.72 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 119.029 -0.51 . . . . 0.0 112.233 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.755 ' HD2' ' H ' ' A' ' 36' ' ' HIS . 1.2 Cg_endo -44.59 -55.63 3.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 C-N-CA 122.612 2.208 . . . . 0.0 112.876 -177.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.408 ' HE1' ' SG ' ' A' ' 54' ' ' CYS . 83.9 m-70 -150.84 -176.04 5.37 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.44 176.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.405 ' C ' ' HE2' ' A' ' 26' ' ' MET . 11.2 tp -142.55 162.42 18.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.288 -174.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.404 ' N ' HG13 ' A' ' 39' ' ' ILE . 43.7 p90 -91.92 141.85 28.19 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.87 123.03 67.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.703 0.287 . . . . 0.0 110.278 -179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -121.43 141.94 50.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.899 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.655 ' HG2' ' HB2' ' A' ' 60' ' ' TYR . 2.0 mpt? -107.5 33.97 3.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -67.0 -83.51 0.11 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.085 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.6 m -84.47 -15.35 46.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.906 0.384 . . . . 0.0 110.789 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.542 ' O ' ' HA ' ' A' ' 43' ' ' MET . 0.5 OUTLIER -111.23 114.38 27.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.356 -178.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -74.66 -26.35 59.8 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.442 ' HB2' ' CD2' ' A' ' 57' ' ' LEU . 8.1 pt-20 -141.29 127.39 19.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.219 0.533 . . . . 0.0 111.292 176.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -130.87 131.32 44.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.872 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.524 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 14.5 tt -88.81 159.66 2.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 173.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.579 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 40.6 t -99.05 114.41 65.5 Favored Pre-proline 0 C--N 1.328 -0.349 0 C-N-CA 119.192 -1.003 . . . . 0.0 110.045 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 7.5 Cg_endo -50.49 -35.04 44.36 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.095 2.53 . . . . 0.0 111.722 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -113.2 84.96 2.09 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.536 173.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.8 m 154.46 -37.78 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.433 1.093 . . . . 0.0 111.232 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.562 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 28.2 m 73.99 -149.18 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 106.085 -1.821 . . . . 0.0 106.085 -153.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 55' ' ' SER . 28.6 m 84.45 79.65 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 172.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.539 ' HB3' HG23 ' A' ' 17' ' ' ILE . 2.9 tt -70.72 99.96 1.79 Allowed 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 114.609 -1.178 . . . . 0.0 108.125 176.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 90.3 m-85 -76.66 103.64 6.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.014 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.721 ' HB2' ' HG3' ' A' ' 19' ' ' GLU . 82.5 mtt180 -93.89 119.53 32.94 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.352 177.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.655 ' HB2' ' HG2' ' A' ' 43' ' ' MET . 88.7 t80 -107.14 103.93 13.45 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.161 0.505 . . . . 0.0 109.811 174.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -108.77 140.79 22.18 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.77 -9.47 9.6 Favored 'Trans proline' 0 CA--C 1.532 0.398 0 C-N-CA 122.914 2.409 . . . . 0.0 113.771 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.4 m -85.15 -15.54 43.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.09 0.472 . . . . 0.0 110.166 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.7 mt -91.25 149.55 21.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.786 177.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.412 ' H ' ' HB2' ' A' ' 68' ' ' GLN . 37.1 t -127.94 174.64 9.01 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -67.97 -12.64 61.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.026 0.441 . . . . 0.0 111.013 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -96.71 -2.95 43.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.273 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.412 ' HB2' ' H ' ' A' ' 65' ' ' SER . 53.0 mt-30 -128.15 160.68 31.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.561 -177.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.9 t -170.63 -131.37 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.912 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.53 ' CG ' ' HD2' ' A' ' 71' ' ' PRO . 21.0 t-20 -100.43 153.13 37.92 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -174.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 70' ' ' ASN . 65.4 Cg_exo -27.97 136.53 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 124.786 3.657 . . . . 0.0 114.427 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 43.9 m -48.12 128.02 13.32 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.94 -172.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.94 35.52 0.89 Allowed Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -169.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.67 ' HA ' ' O ' ' A' ' 10' ' ' GLN . 2.2 p -124.17 -11.1 7.55 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.797 -0.701 . . . . 0.0 112.15 -173.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -85.94 145.55 27.09 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 176.033 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.919 ' HA ' ' HG2' ' A' ' 10' ' ' GLN . 76.6 t80 -81.32 100.03 8.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.263 0.554 . . . . 0.0 110.785 -177.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -104.74 152.29 39.47 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.1 -0.955 . . . . 0.0 108.857 171.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.67 85.93 0.17 Allowed 'Trans proline' 0 CA--C 1.529 0.231 0 C-N-CA 122.59 2.193 . . . . 0.0 114.008 -172.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -96.51 59.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.652 0.739 . . . . 0.0 109.316 171.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 80' ' ' LEU . 4.9 tt -80.06 -16.25 55.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.979 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 72.57 162.84 0.26 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.39 -177.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.6 m80 63.83 27.5 14.56 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 122.66 0.384 . . . . 0.0 111.558 -176.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.48 129.34 40.68 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.074 0.464 . . . . 0.0 110.751 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -69.81 -33.74 72.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.771 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 -96.92 125.83 41.63 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -116.52 100.97 8.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.504 0.668 . . . . 0.0 110.848 -177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 . . . . . 0 C--O 1.246 0.878 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.396 -178.62 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 120.796 0.332 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.41 85.66 1.45 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.028 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -69.64 -31.7 69.95 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.642 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -109.47 138.32 46.01 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -85.06 -15.34 44.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.966 0.412 . . . . 0.0 111.406 -172.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.4 pt -74.31 154.47 88.12 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.94 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_exo -52.47 141.54 51.21 Favored 'Trans proline' 0 C--N 1.349 0.591 0 C-N-CA 123.05 2.5 . . . . 0.0 112.321 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.532 ' HB3' ' HB3' ' A' ' 76' ' ' TYR . 34.7 m170 -92.95 112.17 24.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.301 0.572 . . . . 0.0 111.211 -176.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.547 ' O ' ' HB2' ' A' ' 76' ' ' TYR . 89.3 m-85 -104.31 -174.04 2.45 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.975 175.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -112.46 -169.5 1.49 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.953 0.406 . . . . 0.0 111.237 -170.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -71.34 126.29 29.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.836 -172.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.515 ' HB2' HG21 ' A' ' 56' ' ' THR . 21.1 p-10 -88.7 9.81 22.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.786 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -91.55 21.43 4.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.777 0.323 . . . . 0.0 111.312 177.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.09 -72.25 0.79 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.826 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -93.35 127.1 38.82 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -178.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.698 ' HA ' ' O ' ' A' ' 55' ' ' SER . 76.6 mttt -81.96 -5.92 58.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -172.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.437 HG23 ' HB3' ' A' ' 57' ' ' LEU . 65.4 mt -139.06 110.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 171.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.672 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 30.2 mt -124.92 131.82 72.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.204 0.526 . . . . 0.0 112.222 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.5 mp0 -91.41 142.49 27.62 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 175.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.53 ' HA ' ' HA ' ' A' ' 69' ' ' THR . 23.9 pt -138.27 158.2 31.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 120.655 0.264 . . . . 0.0 110.745 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.615 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -96.93 -14.9 41.19 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.141 177.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 HD12 ' A' ' 20' ' ' ILE . 19.0 m -82.27 142.57 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 0.0 110.643 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HE3' ' HB2' ' A' ' 23' ' ' LYS . 23.2 ttmt -96.99 -6.42 35.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.487 0.661 . . . . 0.0 110.219 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.08 129.59 36.23 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.743 172.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -148.1 149.99 33.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.286 0.565 . . . . 0.0 111.033 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 26.5 ttt -146.75 140.34 25.79 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 66.1 m -55.47 119.64 5.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.2 t -54.99 -54.75 20.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -172.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.77 143.07 3.58 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 119.982 -1.104 . . . . 0.0 112.663 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.26 -73.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.0 m -123.97 -31.31 3.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.95 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.783 ' HG3' ' HA ' ' A' ' 37' ' ' PRO . 1.5 mp0 61.18 78.52 0.31 Allowed Pre-proline 0 N--CA 1.467 0.383 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.537 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.01 -2.58 10.23 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.571 2.181 . . . . 0.0 112.513 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -133.96 -167.45 1.95 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.793 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -68.67 112.62 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.438 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.783 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 30.1 m170 69.21 178.77 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.5 0 O-C-N 123.718 0.637 . . . . 0.0 110.66 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.783 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 87.4 Cg_exo -45.74 92.86 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 123.189 2.593 . . . . 0.0 113.855 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.595 ' HE2' ' HB2' ' A' ' 53' ' ' TYR . 14.3 t-160 48.11 -96.92 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.95 -174.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 9.5 tp -148.41 153.86 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 39.7 p90 -90.89 138.69 31.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.79 0.329 . . . . 0.0 110.5 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.7 mt -127.86 128.56 69.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.765 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.76 137.59 43.56 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 175.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.7 -63.36 1.36 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.015 0.436 . . . . 0.0 110.636 178.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.37 -79.07 1.08 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.977 -0.63 . . . . 0.0 112.282 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.4 t -117.14 -41.05 3.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.704 0.287 . . . . 0.0 110.333 -179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 p -85.83 125.04 32.98 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.931 0.396 . . . . 0.0 110.752 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -80.7 -18.92 46.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.882 -173.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.22 122.13 36.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.733 0.778 . . . . 0.0 111.909 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -134.05 -170.65 2.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.68 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.5 tt -137.92 155.69 30.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.85 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 49.7 t -93.83 105.85 18.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -62.27 133.83 45.53 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.634 2.222 . . . . 0.0 111.452 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.595 ' HB2' ' HE2' ' A' ' 38' ' ' HIS . 85.1 m-85 70.01 29.64 3.83 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.505 0.503 . . . . 0.0 110.542 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 13.9 m -147.83 -48.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.398 174.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.698 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 25.2 m 66.91 97.98 0.05 Allowed 'General case' 0 C--N 1.34 0.158 0 O-C-N 123.891 0.744 . . . . 0.0 109.74 -173.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.515 HG21 ' HB2' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -163.34 40.45 0.1 Allowed 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -169.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.437 ' HB3' HG23 ' A' ' 17' ' ' ILE . 5.3 tt -33.96 100.05 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.712 1.257 . . . . 0.0 111.66 -168.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.85 ' HE2' ' HB2' ' A' ' 51' ' ' CYS . 84.9 m-85 -82.7 106.27 14.42 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.759 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -112.54 114.66 27.42 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.986 177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -76.25 109.03 9.6 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 14.6 t70 -91.02 132.68 33.68 Favored Pre-proline 0 C--N 1.319 -0.746 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 37.0 Cg_exo -61.7 -12.29 24.42 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.864 2.376 . . . . 0.0 113.414 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 m -87.76 -9.52 53.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 110.721 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.404 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 90.6 mt -96.73 146.24 25.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.941 0.4 . . . . 0.0 110.877 -177.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.615 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 15.1 m -94.94 167.59 11.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.486 175.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -64.72 -17.64 64.31 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -92.46 -3.48 55.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.237 0.541 . . . . 0.0 110.253 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -109.99 -179.27 3.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.439 0.638 . . . . 0.0 111.78 -174.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 20' ' ' ILE . 7.9 t -168.25 -142.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.779 -175.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.823 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -100.37 -178.93 0.74 Allowed Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 176.764 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.823 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 80.3 Cg_exo -22.84 107.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.368 1.556 0 C-N-CA 124.038 3.158 . . . . 0.0 113.461 -176.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.7 t -62.69 92.93 0.05 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.442 1.115 . . . . 0.0 112.43 -166.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -166.59 21.25 0.11 Allowed Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 114.244 -1.344 . . . . 0.0 110.727 173.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 37.9 t -114.59 24.04 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.565 0.697 . . . . 0.0 109.948 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.35 139.21 37.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.285 177.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.547 ' HB2' ' O ' ' A' ' 9' ' ' PHE . 6.4 t80 -84.65 94.63 8.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.083 0.468 . . . . 0.0 109.867 -178.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.475 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 7.3 p30 -104.46 132.45 20.94 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.659 178.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 17.2 Cg_exo -67.2 97.12 0.41 Allowed 'Trans proline' 0 N--CA 1.464 -0.214 0 C-N-CA 122.795 2.33 . . . . 0.0 111.911 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 48.0 tttp -83.57 -24.04 31.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.524 0.678 . . . . 0.0 109.786 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 81' ' ' GLU . 47.3 tp -75.66 156.39 34.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.088 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.501 ' HB2' ' O ' ' A' ' 80' ' ' LEU . 3.9 mm-40 73.45 144.52 0.07 Allowed 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.956 0.785 . . . . 0.0 112.097 177.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -93.36 -24.79 17.97 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 168.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -80.02 115.49 19.62 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.805 172.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -123.9 173.0 8.49 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.409 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -86.67 107.04 18.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.872 0.368 . . . . 0.0 110.127 -174.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -93.45 132.16 37.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.421 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.9 p80 . . . . . 0 C--O 1.245 0.843 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.045 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.3 98.91 8.37 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 173.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.29 -85.54 0.25 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.642 -176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -157.22 148.59 22.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.846 0.355 . . . . 0.0 110.962 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -93.0 -35.08 13.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.462 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 27.4 pt -79.42 150.44 73.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.119 -178.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 1.1 Cg_endo -81.93 -175.48 2.57 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 123.34 2.694 . . . . 0.0 113.175 -176.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -90.74 124.53 35.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.017 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.678 ' HZ ' HG21 ' A' ' 18' ' ' ILE . 3.7 t80 -102.18 -174.3 2.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.203 -172.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.777 HE21 ' HB2' ' A' ' 76' ' ' TYR . 17.4 mm-40 -112.84 177.2 4.71 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -81.15 151.82 28.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.973 0.416 . . . . 0.0 110.451 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' A' ' 54' ' ' CYS . 1.3 m-20 -53.16 -39.19 63.39 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.263 -0.88 . . . . 0.0 112.607 -173.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.8 mt -70.06 4.95 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.716 -168.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.24 -48.18 8.47 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.896 175.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.456 ' HB2' HD11 ' A' ' 18' ' ' ILE . 42.0 m-85 -143.41 136.73 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 -177.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 55' ' ' SER . 57.7 mttp -82.17 -9.14 59.62 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.3 mt -137.94 110.87 7.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.678 HG21 ' HZ ' ' A' ' 9' ' ' PHE . 30.0 mm -112.04 130.68 65.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.533 0.682 . . . . 0.0 112.508 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -91.31 137.69 32.16 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 171.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.486 HG23 HG22 ' A' ' 18' ' ' ILE . 21.3 pt -140.1 159.6 26.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.191 0.52 . . . . 0.0 111.832 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.2 21.7 9.99 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.207 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.536 HG12 ' CD2' ' A' ' 66' ' ' TYR . 34.1 m -112.82 148.34 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -96.54 -13.08 23.24 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -143.22 131.34 21.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.791 0.329 . . . . 0.0 111.185 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -166.01 136.05 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.41 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.531 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 24.2 ttt -104.09 126.51 51.25 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 174.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 38' ' ' HIS . 34.7 t -54.22 120.98 7.25 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.494 -177.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.73 137.05 22.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.626 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -121.57 79.33 0.33 Allowed Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.98 -52.06 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.876 0.369 . . . . 0.0 111.105 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 p -89.02 97.1 11.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 66.46 87.89 0.11 Allowed Pre-proline 0 N--CA 1.466 0.346 0 O-C-N 124.113 0.883 . . . . 0.0 110.001 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.97 138.23 43.55 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.746 2.297 . . . . 0.0 112.537 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -79.89 40.8 0.48 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.642 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 35.0 t70 68.45 113.4 0.04 OUTLIER 'General case' 0 C--O 1.232 0.171 0 C-N-CA 123.871 0.869 . . . . 0.0 109.802 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 43.2 m-70 70.17 175.44 0.07 OUTLIER Pre-proline 0 N--CA 1.47 0.57 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.458 -170.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 36.3 Cg_exo -62.01 153.84 66.09 Favored 'Trans proline' 0 N--CA 1.455 -0.789 0 N-CA-C 108.255 -1.479 . . . . 0.0 108.255 160.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.63 ' HB3' ' SG ' ' A' ' 27' ' ' CYS . 3.7 t-80 -75.91 -160.9 0.15 Allowed 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 119.461 -0.896 . . . . 0.0 110.64 -173.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.503 ' H ' ' CG ' ' A' ' 38' ' ' HIS . 31.3 mm -87.31 136.14 23.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 121.745 -0.597 . . . . 0.0 111.554 -164.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.531 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 36.9 p90 -72.52 134.14 45.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.238 -176.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.544 HG23 ' HD3' ' A' ' 49' ' ' LYS . 82.3 mt -116.78 87.6 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.988 0.899 . . . . 0.0 110.349 -177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.72 134.11 34.01 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.642 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.9 mtp -99.08 21.52 11.63 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.542 0.687 . . . . 0.0 110.481 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.06 -2.92 68.32 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 172.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 t -102.97 -31.74 10.08 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.261 -0.469 . . . . 0.0 110.271 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.5 153.8 34.19 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.976 -177.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -81.72 -21.97 37.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.322 0.582 . . . . 0.0 110.226 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB3' ' HG3' ' A' ' 59' ' ' ARG . 7.4 pt-20 -134.92 109.03 8.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.433 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HD3' HG23 ' A' ' 41' ' ' ILE . 50.5 tttt -117.49 119.01 33.76 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.154 0.502 . . . . 0.0 110.451 -175.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 14.1 tt -84.97 153.74 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.841 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.429 ' HB2' HD11 ' A' ' 41' ' ' ILE . 49.4 t -93.53 105.7 17.39 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 50' ' ' ILE . 27.1 Cg_exo -62.3 141.06 86.17 Favored 'Trans proline' 0 CA--C 1.519 -0.228 0 C-N-CA 122.864 2.376 . . . . 0.0 111.549 -178.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 68.26 20.93 8.64 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.593 0.558 . . . . 0.0 110.921 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 38' ' ' HIS . 55.9 m -142.12 -53.72 0.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.966 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.583 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 45.5 m 70.95 101.05 0.06 Allowed 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.882 0.738 . . . . 0.0 109.871 -171.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 12' ' ' ASP . 1.5 m -164.85 32.69 0.06 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -171.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.573 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 3.2 tt -36.04 102.97 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.123 -1.398 . . . . 0.0 112.101 -164.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.604 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 95.5 m-85 -84.67 113.71 21.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.299 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 48' ' ' GLU . 12.7 ttp180 -114.22 139.84 49.06 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.971 -0.558 . . . . 0.0 109.916 178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -89.95 137.54 32.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.319 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -135.05 132.11 20.13 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.288 -0.414 . . . . 0.0 109.969 176.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.34 -22.29 74.18 Favored 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 123.344 2.696 . . . . 0.0 113.71 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.0 t -79.59 -16.61 55.55 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.232 0.539 . . . . 0.0 110.252 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.4 mt -90.43 166.24 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.713 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.5 m -151.59 -179.3 7.29 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 -175.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.536 ' CD2' HG12 ' A' ' 22' ' ' VAL . 55.5 m-85 -76.4 -19.37 58.18 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -174.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -80.54 -4.7 54.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 0.0 111.23 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -144.78 -169.03 3.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.743 -178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 70' ' ' ASN . 4.6 t -153.08 -66.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.938 176.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.514 ' H ' HG23 ' A' ' 69' ' ' THR . 3.8 p-10 -145.96 166.91 15.52 Favored Pre-proline 0 C--N 1.31 -1.124 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.777 -170.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.29 119.75 7.0 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.862 2.375 . . . . 0.0 110.752 172.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.1 m 68.4 82.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -167.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.94 130.1 50.33 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.063 -0.971 . . . . 0.0 113.727 -173.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.496 ' HB2' ' HB2' ' A' ' 10' ' ' GLN . 7.0 p -104.62 91.82 4.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.697 0.76 . . . . 0.0 109.551 177.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mt -133.09 132.37 41.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.209 -174.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.777 ' HB2' HE21 ' A' ' 10' ' ' GLN . 56.3 t80 -102.92 94.34 5.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.018 0.437 . . . . 0.0 111.531 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -110.79 125.43 30.76 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.522 171.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.08 115.24 2.5 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.063 2.509 . . . . 0.0 112.476 -177.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -90.15 129.16 36.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.563 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD11 ' NE2' ' A' ' 84' ' ' HIS . 41.9 tp -64.96 119.96 11.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.496 -178.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.75 -163.72 1.07 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.075 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -119.36 8.85 11.47 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -169.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 75.4 m-70 -106.91 -50.01 3.18 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 121.954 -0.466 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.435 ' NE2' HD11 ' A' ' 80' ' ' LEU . 44.6 m80 66.97 178.19 0.23 Allowed 'General case' 0 C--N 1.332 -0.165 0 O-C-N 123.949 0.781 . . . . 0.0 110.386 -173.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -96.24 149.95 21.09 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -68.27 -21.34 64.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.866 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.989 175.866 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.99 89.19 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.042 0.449 . . . . 0.0 110.635 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -83.71 122.48 28.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.949 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -89.81 122.32 32.77 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.361 0.6 . . . . 0.0 111.78 -175.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -148.4 145.02 27.85 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 174.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.6 mt -71.87 120.69 81.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -49.49 133.38 31.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.19 2.593 . . . . 0.0 112.258 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -90.29 97.58 11.27 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.796 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 74' ' ' CYS . 45.4 m-85 -111.15 159.05 18.21 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.552 177.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 74' ' ' CYS . 11.7 pt20 -113.21 168.04 10.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.903 0.382 . . . . 0.0 110.55 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -97.83 115.21 27.61 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 172.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' OD2' ' HG ' ' A' ' 13' ' ' LEU . 4.6 p-10 -54.62 -68.57 0.17 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.448 0.468 . . . . 0.0 111.536 -170.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' HG ' ' OD2' ' A' ' 12' ' ' ASP . 2.6 pp -121.36 -12.12 8.66 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 166.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.47 57.3 0.67 Allowed Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.819 -172.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.47 ' O ' ' HA ' ' A' ' 56' ' ' THR . 33.9 t80 -64.79 140.34 58.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.792 0.33 . . . . 0.0 110.255 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -63.22 -41.49 99.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.371 -168.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 58.4 mt -127.02 110.67 23.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.7 mt -117.1 123.05 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 121.724 0.773 . . . . 0.0 112.447 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.666 ' HG2' ' HB3' ' A' ' 59' ' ' ARG . 42.0 mt-10 -91.25 139.44 30.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.884 177.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.484 HD12 HG23 ' A' ' 22' ' ' VAL . 16.1 pt -134.67 155.75 39.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.755 0.312 . . . . 0.0 111.42 -173.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.95 -10.67 68.96 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.27 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.484 HG23 HD12 ' A' ' 20' ' ' ILE . 19.1 m -95.32 151.73 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 122.728 -0.277 . . . . 0.0 110.364 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HZ1' ' HA2' ' A' ' 44' ' ' GLY . 56.1 tttm -92.89 -58.55 2.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.849 0.357 . . . . 0.0 110.77 -177.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -95.86 122.17 38.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -129.78 161.01 31.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 -171.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.0 ttt -146.99 135.12 21.56 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.68 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 65.4 m -74.32 126.31 30.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 63.1 t -50.46 -48.33 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 O-C-N 123.584 0.553 . . . . 0.0 111.449 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.06 -146.77 11.34 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.366 177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -170.63 177.61 3.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -72.08 -36.48 69.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.443 0.64 . . . . 0.0 109.455 175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -130.15 84.04 61.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.302 173.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 96.1 Cg_endo -97.84 -162.5 0.06 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 123.705 2.937 . . . . 0.0 113.109 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -109.7 122.3 47.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.983 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 70.55 -74.02 0.09 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.804 0.69 . . . . 0.0 110.293 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.784 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 71.3 m80 -147.25 -55.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.278 177.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.784 ' HD3' ' HB2' ' A' ' 36' ' ' HIS . 73.5 Cg_endo -100.8 -144.97 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.028 2.486 . . . . 0.0 111.15 174.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.68 ' HB3' ' HB2' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -109.49 -169.19 1.43 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.032 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 tp -87.84 151.3 3.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.015 -174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -73.39 120.74 19.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.894 176.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.4 mt -98.86 86.27 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.32 0.581 . . . . 0.0 110.526 -177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -93.52 131.83 38.39 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.424 175.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.668 ' HB2' ' O ' ' A' ' 46' ' ' THR . 23.7 ptt? -137.31 58.63 1.7 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.879 0.847 . . . . 0.0 110.058 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.64 ' HA2' ' HZ1' ' A' ' 23' ' ' LYS . . . -67.64 -25.39 73.98 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.888 175.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 p -78.42 -77.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.045 0.45 . . . . 0.0 111.111 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.668 ' O ' ' HB2' ' A' ' 43' ' ' MET . 23.6 m -98.57 131.99 44.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.822 178.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.416 ' OD1' ' HE2' ' A' ' 23' ' ' LYS . 10.5 m-20 -80.65 13.54 2.51 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.238 0.542 . . . . 0.0 111.506 -175.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.436 ' H ' HG22 ' A' ' 46' ' ' THR . 41.4 mt-10 -133.39 109.16 9.14 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 176.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -143.07 153.42 42.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.051 0.453 . . . . 0.0 110.481 -176.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.817 HD11 ' HA ' ' A' ' 55' ' ' SER . 14.2 tt -116.2 156.83 17.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.493 -176.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.584 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 34.4 t -93.33 105.68 16.83 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 172.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.03 -55.74 2.63 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.903 3.069 . . . . 0.0 113.418 -170.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -90.72 56.58 3.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.433 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 16.4 m -157.98 -51.68 0.07 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.74 177.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.817 ' HA ' HD11 ' A' ' 50' ' ' ILE . 14.3 t 65.45 89.43 0.1 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 -168.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 11.6 m -169.01 56.38 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 -166.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.5 tp -51.01 106.31 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.543 -170.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 89.8 m-85 -81.23 116.94 21.35 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.1 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.666 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . 20.0 ttt180 -114.37 114.93 26.55 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.734 -174.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -107.15 108.16 19.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.097 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 16.0 t70 -129.41 138.99 34.36 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.781 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 76.9 Cg_exo -52.32 -18.9 8.53 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.632 2.888 . . . . 0.0 114.683 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.4 m -74.64 -22.66 58.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.946 0.403 . . . . 0.0 110.735 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 19' ' ' GLU . 74.6 mt -80.85 131.82 35.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.769 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -84.03 157.48 21.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -68.61 -29.86 68.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -85.1 6.25 26.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.668 175.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -118.17 163.15 17.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.655 HG21 ' SG ' ' A' ' 74' ' ' CYS . 11.0 t -161.01 -143.44 0.09 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.743 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.405 ' HB3' HG23 ' A' ' 18' ' ' ILE . 8.9 t30 -100.4 140.12 21.19 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 -175.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.63 127.99 26.5 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.175 2.583 . . . . 0.0 112.745 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 p 51.5 81.14 0.08 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.182 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.468 ' HA2' ' HB3' ' A' ' 12' ' ' ASP . . . 178.94 -170.54 42.39 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.236 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.655 ' SG ' HG21 ' A' ' 69' ' ' THR . 14.5 p 50.91 -160.51 0.08 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.365 1.066 . . . . 0.0 111.658 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 0.6 OUTLIER 68.86 89.48 0.1 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.452 173.373 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -81.24 128.31 33.66 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.11 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 14.5 m120 -95.36 111.59 55.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.18 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 7.0 Cg_exo -73.19 123.75 9.01 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.743 2.295 . . . . 0.0 111.347 177.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.505 ' H ' ' HD2' ' A' ' 79' ' ' LYS . 1.7 mptp? -87.44 -178.76 6.23 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -176.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -77.71 59.92 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 172.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.17 139.69 57.45 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.243 0.544 . . . . 0.0 110.631 -177.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -142.84 97.82 3.17 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.647 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -76.57 -53.19 8.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -139.97 -68.59 0.42 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.251 -0.886 . . . . 0.0 108.768 171.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -88.45 -72.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.791 -1.188 . . . . 0.0 107.791 169.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -123.11 -59.1 1.6 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 166.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 . . . . . 0 C--O 1.242 0.699 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.853 171.19 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.029 0.442 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.28 76.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.341 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -166.34 112.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -109.73 12.48 24.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.975 0.417 . . . . 0.0 111.066 -173.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -98.18 120.49 38.69 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.815 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 18.9 pt -71.09 142.82 87.89 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.875 -176.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 52.4 Cg_exo -53.3 125.2 17.68 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.079 2.52 . . . . 0.0 112.403 -179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -94.38 136.77 34.3 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.949 -178.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -121.65 147.95 45.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.596 0.236 . . . . 0.0 110.976 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.669 ' HB3' ' HD1' ' A' ' 76' ' ' TYR . 4.1 pt20 -113.2 172.78 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.464 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -129.55 128.22 42.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.196 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -80.65 -49.1 11.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.333 0.587 . . . . 0.0 109.572 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.665 HD23 ' H ' ' A' ' 13' ' ' LEU . 2.0 pt? -120.68 -27.69 5.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.685 177.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.6 104.67 2.57 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -175.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -85.14 153.12 22.88 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HB2' ' HE2' ' A' ' 16' ' ' LYS . 10.2 tppt? -91.87 -37.89 12.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.931 0.395 . . . . 0.0 111.297 -175.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 57' ' ' LEU . 76.1 mt -129.75 110.7 20.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.73 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 15.9 mt -103.47 118.62 50.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.688 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -93.33 139.68 30.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.551 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.1 pt -138.45 155.08 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.656 -177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -90.93 -6.54 67.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.448 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.407 HG22 ' H ' ' A' ' 24' ' ' GLU . 9.3 p -104.57 143.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.644 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 50.5 mtpt -96.79 -1.77 45.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 0.0 111.932 -173.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' H ' HG22 ' A' ' 22' ' ' VAL . 6.5 mp0 -128.1 110.89 12.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.211 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' O ' ' HB ' ' A' ' 41' ' ' ILE . 87.5 t80 -154.18 136.9 15.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.221 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.474 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 26.7 ttt -101.6 137.11 40.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.665 0.269 . . . . 0.0 110.3 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.612 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 8.4 t -64.72 120.16 11.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.4 t -92.15 -82.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.027 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.22 126.23 3.01 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.064 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.51 ' HB3' ' SG ' ' A' ' 54' ' ' CYS . . . -140.65 -67.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.4 m -105.65 83.64 1.96 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.94 173.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 67.63 158.53 0.14 Allowed Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.302 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.18 145.15 24.13 Favored 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.772 2.315 . . . . 0.0 111.421 173.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -101.57 30.91 4.02 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.6 t70 71.16 -56.6 0.62 Allowed 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.72 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.663 ' HB2' ' HD2' ' A' ' 37' ' ' PRO . 13.0 p80 -112.72 172.48 3.5 Favored Pre-proline 0 C--N 1.316 -0.886 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 174.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.663 ' HD2' ' HB2' ' A' ' 36' ' ' HIS . 1.1 Cg_endo -45.11 147.4 2.18 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.825 2.35 . . . . 0.0 112.236 175.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' A' ' 27' ' ' CYS . 8.4 m-70 -78.85 -145.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.16 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.465 ' H ' ' HB3' ' A' ' 38' ' ' HIS . 25.4 mm -102.38 146.21 10.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.194 -175.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.474 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 29.6 p90 -89.39 145.94 25.0 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.168 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.582 ' HB ' ' O ' ' A' ' 25' ' ' PHE . 2.0 mp -114.55 111.92 37.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.295 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -115.89 115.69 26.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.267 173.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.644 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 66.2 mtt -85.38 67.07 10.0 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.277 0.561 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.26 -50.7 3.35 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.701 -0.762 . . . . 0.0 111.724 179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -80.08 -57.7 3.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.936 0.398 . . . . 0.0 111.06 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.3 p -107.26 175.2 5.58 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.985 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -100.41 4.89 44.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 109.315 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -134.17 130.82 37.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.318 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HB2' HG23 ' A' ' 41' ' ' ILE . 56.7 mmtt -138.93 156.94 46.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.817 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 tt -132.55 150.34 33.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.225 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.6 t -93.64 112.29 56.15 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 173.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -49.67 -45.11 33.0 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.731 2.287 . . . . 0.0 111.098 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -91.52 78.04 5.66 Favored 'General case' 0 C--O 1.252 1.209 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.786 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.529 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 5.3 m 159.84 -44.22 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 O-C-N 124.974 1.422 . . . . 0.0 112.059 172.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 56.8 p 51.13 90.58 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.87 0.843 . . . . 0.0 109.897 -165.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.529 ' OG1' ' HB3' ' A' ' 54' ' ' CYS . 3.4 m -158.55 46.12 0.31 Allowed 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 105.493 -2.04 . . . . 0.0 105.493 -169.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.403 ' HB3' HG23 ' A' ' 17' ' ' ILE . 5.3 tt -41.78 112.84 0.36 Allowed 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.365 -164.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.73 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 83.7 m-85 -83.85 105.95 15.14 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.35 179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -115.99 129.12 56.23 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.001 -174.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -92.82 131.56 37.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.929 174.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 20.6 t70 -124.4 137.13 28.67 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 36.5 Cg_exo -61.16 -8.71 10.68 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 122.956 2.438 . . . . 0.0 113.934 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -88.59 -17.36 30.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.251 0.548 . . . . 0.0 109.768 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.2 mt -92.32 122.62 34.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.914 -177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.467 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 15.5 m -82.91 170.6 14.77 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 174.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -64.38 -23.96 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.081 0.467 . . . . 0.0 111.212 -175.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -87.59 -2.3 58.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.342 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -106.79 168.86 8.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.149 0.499 . . . . 0.0 111.283 -174.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.8 t -161.3 -150.05 0.19 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.836 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.895 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 0.1 OUTLIER -100.69 174.6 2.85 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-O 119.236 -0.411 . . . . 0.0 110.126 -177.052 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.895 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 5.9 Cg_exo -37.52 150.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 124.751 3.634 . . . . 0.0 115.304 -177.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.9 m -59.43 141.51 54.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.657 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 137.14 -14.09 3.79 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 -176.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.422 ' HB2' ' H ' ' A' ' 75' ' ' LEU . 6.1 p -100.07 -147.8 0.35 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.681 -0.76 . . . . 0.0 110.405 177.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' H ' ' HB2' ' A' ' 74' ' ' CYS . 2.7 mm? 67.82 96.71 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.401 0.619 . . . . 0.0 110.79 -173.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.669 ' HD1' ' HB3' ' A' ' 10' ' ' GLN . 49.9 t80 -85.66 89.08 7.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.775 -174.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.781 ' HB2' ' HB2' ' A' ' 80' ' ' LEU . 35.9 m-80 -81.75 148.58 61.88 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 171.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -29.93 -60.29 0.13 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 124.506 3.471 . . . . 0.0 113.756 -174.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -140.62 59.48 1.55 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.215 0.531 . . . . 0.0 110.411 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.781 ' HB2' ' HB2' ' A' ' 77' ' ' ASN . 57.4 tp -84.3 95.57 8.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.341 174.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.45 169.99 17.22 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.553 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -89.26 140.58 29.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.849 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.61 128.89 36.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.073 0.463 . . . . 0.0 111.168 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -111.46 -74.72 0.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.129 -178.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -93.53 155.94 17.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.747 -175.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -117.78 138.91 51.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.942 -175.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.343 173.283 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.97 0.414 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.04 134.11 53.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.737 0.303 . . . . 0.0 110.888 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -112.43 124.67 53.02 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.939 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -101.76 102.6 13.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.228 0.537 . . . . 0.0 110.704 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -117.34 -148.95 0.43 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.607 178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 26.8 pt -71.43 146.4 91.65 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.115 0.483 . . . . 0.0 110.842 -177.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 21.2 Cg_exo -65.59 128.61 20.48 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.099 2.532 . . . . 0.0 113.269 -175.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -92.51 159.79 15.35 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -123.6 146.66 48.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.417 0.627 . . . . 0.0 112.138 -173.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.544 ' HG2' ' H ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -123.58 147.17 47.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.638 -179.095 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -131.88 123.67 27.96 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.155 174.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -84.59 -67.44 0.8 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.28 0.562 . . . . 0.0 110.067 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.882 HD23 ' H ' ' A' ' 13' ' ' LEU . 1.9 pt? -87.92 -5.61 58.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.607 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.0 147.29 21.92 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.614 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.434 ' HB2' HD11 ' A' ' 18' ' ' ILE . 91.1 m-85 -140.81 121.14 13.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -80.68 -25.82 37.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.437 -175.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.442 HG12 ' HB3' ' A' ' 57' ' ' LEU . 72.8 mt -134.55 110.69 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.829 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 24.8 mt -116.43 129.92 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-O 121.523 0.678 . . . . 0.0 111.875 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.65 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 40.0 mt-10 -91.33 151.41 20.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.956 176.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.5 pt -145.05 153.64 14.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.878 0.37 . . . . 0.0 111.05 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -103.99 36.37 4.41 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.191 178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.1 m -134.44 147.69 29.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.587 0.232 . . . . 0.0 110.464 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -95.2 -21.57 18.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.997 0.427 . . . . 0.0 110.584 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -126.09 120.85 31.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.945 -176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -158.54 173.23 16.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.95 0.405 . . . . 0.0 110.494 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.574 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 22.7 ttt -140.66 144.34 35.63 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 38' ' ' HIS . 52.7 t -61.92 149.9 39.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.8 t -47.06 126.51 2.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 O-C-N 123.729 0.643 . . . . 0.0 112.541 -172.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.34 -179.29 29.83 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.767 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.03 166.22 10.92 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.3 m -74.27 78.14 1.83 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.398 0.618 . . . . 0.0 110.344 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' HB3' ' HD2' ' A' ' 33' ' ' PRO . 28.2 mt-30 -142.77 163.81 36.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.034 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' A' ' 32' ' ' GLN . 88.2 Cg_exo -46.08 137.86 13.13 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.05 2.5 . . . . 0.0 113.281 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.04 117.82 4.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.183 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -170.4 -72.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.645 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 59.1 m170 -91.9 -48.7 0.32 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.85 170.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.645 ' HD3' ' HB2' ' A' ' 36' ' ' HIS . 15.7 Cg_exo -69.96 152.31 68.24 Favored 'Trans proline' 0 C--N 1.356 0.925 0 C-N-CA 121.831 1.687 . . . . 0.0 110.564 169.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.559 ' HB2' ' HB3' ' A' ' 27' ' ' CYS . 22.4 m170 -102.16 -156.64 0.57 Allowed 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.194 -178.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.428 ' H ' ' HB3' ' A' ' 38' ' ' HIS . 16.8 tt -102.36 160.53 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.762 -169.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.574 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 49.5 t80 -84.3 140.9 31.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.918 178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 51' ' ' CYS . 72.3 mt -127.64 127.42 68.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.087 0.47 . . . . 0.0 111.058 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 3.3 p30 -99.93 152.84 19.7 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 171.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.6 tpp -111.93 20.86 16.56 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.462 0.649 . . . . 0.0 109.397 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.86 58.56 1.8 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.428 -176.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.7 t -163.89 -83.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 p -86.95 171.46 10.76 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 173.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -81.58 -31.06 32.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.938 0.399 . . . . 0.0 110.521 -175.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -125.08 136.07 53.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 42' ' ' ASP . 31.4 mmtp -125.65 139.29 53.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.055 178.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 11.9 tt -102.4 162.9 3.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.668 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 5.5 t -93.94 117.92 67.24 Favored Pre-proline 0 CA--C 1.511 -0.537 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.72 110.99 0.6 Allowed 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 121.952 1.768 . . . . 0.0 109.348 168.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 69.9 92.12 0.09 Allowed 'General case' 0 C--O 1.247 0.973 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.145 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.564 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 2.6 m 159.35 -51.51 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.326 1.45 . . . . 0.0 110.623 173.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.3 m 63.94 94.27 0.05 Allowed 'General case' 0 CA--C 1.532 0.271 0 O-C-N 123.812 0.695 . . . . 0.0 109.33 -169.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 4.1 m -159.36 32.79 0.2 Allowed 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 -168.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.442 ' HB3' HG12 ' A' ' 17' ' ' ILE . 48.2 tp -25.67 107.31 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 113.702 -1.59 . . . . 0.0 112.787 -170.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.829 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 93.1 m-85 -86.81 130.74 34.35 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.713 -174.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.65 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 6.7 mtt85 -117.71 139.26 51.28 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.649 178.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -117.17 138.21 51.82 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.95 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 14.0 t70 -141.1 139.48 19.36 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -57.04 -26.94 71.38 Favored 'Trans proline' 0 CA--C 1.532 0.408 0 C-N-CA 123.043 2.496 . . . . 0.0 113.321 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.5 m -80.47 -11.02 59.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.482 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 97.3 mt -87.44 104.28 16.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.041 0.448 . . . . 0.0 109.867 177.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.7 m -77.11 171.04 15.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.399 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -56.84 -32.74 66.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.959 0.409 . . . . 0.0 111.178 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -90.31 9.29 29.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.4 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -128.99 116.81 19.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.767 0.318 . . . . 0.0 110.165 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.601 HG23 ' H ' ' A' ' 70' ' ' ASN . 4.5 t -106.02 -67.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.413 -0.515 . . . . 0.0 111.702 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.601 ' H ' HG23 ' A' ' 69' ' ' THR . 30.4 p-10 -151.76 153.59 31.96 Favored Pre-proline 0 C--N 1.308 -1.215 0 CA-C-O 120.964 0.412 . . . . 0.0 110.312 -171.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 11.1 Cg_endo -90.47 107.22 0.34 Allowed 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.928 2.418 . . . . 0.0 111.778 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER 166.4 -67.39 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.606 1.162 . . . . 0.0 109.24 179.09 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 135.79 102.92 0.7 Allowed Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.765 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 72.5 m -135.03 -94.94 0.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.905 -0.174 . . . . 0.0 110.734 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' GLN . 9.4 mt 61.58 -166.65 0.21 Allowed 'General case' 0 C--O 1.204 -1.325 0 C-N-CA 122.756 0.422 . . . . 0.0 110.261 -178.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -107.25 82.49 1.68 Allowed 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 166.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.544 ' H ' ' HG2' ' A' ' 10' ' ' GLN . 4.7 t-20 -98.12 140.62 22.01 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.306 -171.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 77' ' ' ASN . 23.9 Cg_exo -63.84 87.46 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.974 2.449 . . . . 0.0 113.318 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -98.7 -2.96 36.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.642 170.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.0 mt -131.09 113.23 13.66 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.14 -0.937 . . . . 0.0 109.179 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -68.31 100.89 1.11 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.224 -0.288 . . . . 0.0 110.224 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -67.96 114.81 6.82 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 175.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -71.29 171.09 11.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.19 -174.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -77.45 94.57 4.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.935 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -79.24 63.21 3.81 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 60.05 66.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.156 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.1 t60 . . . . . 0 C--O 1.247 0.937 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.174 179.535 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.6 mtm . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.08 65.78 1.15 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.85 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -127.57 140.57 52.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.297 -172.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -138.02 148.82 45.49 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 169.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -136.66 -177.89 4.94 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.842 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.417 HG21 ' HA ' ' A' ' 25' ' ' PHE . 48.7 mm -71.47 132.93 85.31 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.048 -177.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -45.75 123.93 6.44 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 123.518 2.812 . . . . 0.0 112.767 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -114.41 127.87 56.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.932 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.476 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 42.1 p90 -102.27 -175.34 2.8 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.709 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.622 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 12.0 pt20 -128.76 114.9 17.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.878 0.371 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -121.77 92.91 3.84 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.972 0.415 . . . . 0.0 110.076 176.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -88.93 1.64 55.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.394 0.616 . . . . 0.0 110.212 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.3 mm? -91.63 21.95 4.38 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.515 -170.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.82 141.03 3.37 Favored Glycine 0 N--CA 1.454 -0.13 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.888 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -102.94 132.11 49.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.571 -0.37 . . . . 0.0 110.602 -176.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -160.1 -52.31 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.26 0.552 . . . . 0.0 110.462 174.712 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 57' ' ' LEU . 70.7 mt -141.89 110.59 2.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.809 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 41.1 mt -123.23 127.82 74.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 C-N-CA 119.614 -0.834 . . . . 0.0 112.163 -178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.679 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 35.2 mt-10 -91.52 154.32 19.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.757 -178.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.464 ' HA ' ' HA ' ' A' ' 69' ' ' THR . 15.1 pt -146.73 163.44 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.179 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -107.23 16.8 38.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.412 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.4 m -130.34 167.26 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 122.759 -0.259 . . . . 0.0 110.727 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 58.1 mttp -106.48 4.15 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.233 0.54 . . . . 0.0 110.603 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -127.37 127.71 44.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.418 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.581 ' CE2' ' HB ' ' A' ' 41' ' ' ILE . 43.9 p90 -156.95 166.27 33.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.258 0.551 . . . . 0.0 111.685 -175.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 19.2 ttt -143.72 146.02 32.86 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 173.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 38' ' ' HIS . 75.0 m -50.86 118.5 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -173.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 83.9 t -85.36 81.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 167.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.44 123.73 0.69 Allowed Glycine 0 N--CA 1.443 -0.876 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.505 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.78 22.42 7.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.948 0.404 . . . . 0.0 111.207 -175.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.0 p -69.6 89.44 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 62.16 86.79 0.14 Allowed Pre-proline 0 C--O 1.234 0.282 0 CA-C-O 121.467 0.651 . . . . 0.0 110.392 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_endo -86.9 171.25 6.99 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.274 2.649 . . . . 0.0 112.927 -176.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.529 ' HD2' ' HA ' ' A' ' 38' ' ' HIS . 88.7 m-85 -128.12 86.17 2.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' A' ' 34' ' ' PHE . 15.7 t70 71.2 -65.03 0.36 Allowed 'General case' 0 N--CA 1.467 0.416 0 O-C-N 123.771 0.67 . . . . 0.0 110.078 -171.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.502 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 14.7 m80 -109.43 177.43 1.25 Allowed Pre-proline 0 C--N 1.322 -0.624 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 71.9 Cg_exo -51.25 91.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 122.404 2.069 . . . . 0.0 112.914 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.529 ' HA ' ' HD2' ' A' ' 34' ' ' PHE . 24.9 m170 54.96 -113.14 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.003 -174.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 14.7 tt -148.05 149.89 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.625 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.85 -176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -82.54 130.26 35.08 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.581 ' HB ' ' CE2' ' A' ' 25' ' ' PHE . 58.6 mt -119.07 127.64 75.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.988 0.423 . . . . 0.0 111.345 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -94.82 144.12 25.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.217 174.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.447 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 41.9 mtt -81.55 88.68 6.18 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.968 0.413 . . . . 0.0 111.75 179.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.96 43.48 3.23 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 170.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.8 m -143.51 -175.31 4.51 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.416 -0.392 . . . . 0.0 109.962 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.6 p -77.23 -75.33 0.21 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -137.64 6.19 2.7 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.855 -0.612 . . . . 0.0 112.079 -175.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HB2' HD21 ' A' ' 57' ' ' LEU . 11.2 pt-20 -148.97 140.16 23.11 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.62 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -158.23 132.95 8.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.311 174.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.497 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 14.2 tt -111.43 151.8 13.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.853 0.358 . . . . 0.0 110.961 -176.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.0 t -93.64 110.7 48.8 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.8 -45.71 38.76 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.83 2.353 . . . . 0.0 110.82 177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -79.42 71.54 5.99 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.146 172.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.4 m 171.99 -63.28 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.536 0.734 . . . . 0.0 111.845 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.438 ' HA ' HD11 ' A' ' 50' ' ' ILE . 22.7 t 68.86 88.8 0.11 Allowed 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 -160.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.0 m -173.61 63.72 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 105.829 -1.915 . . . . 0.0 105.829 -165.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' HB3' HG23 ' A' ' 17' ' ' ILE . 2.5 tt -59.92 106.61 0.51 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.642 -173.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.809 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 67.2 m-85 -80.05 107.28 12.71 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 123.662 0.602 . . . . 0.0 110.266 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.679 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 79.7 mtt-85 -101.44 123.17 45.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.047 179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HA ' ' O ' ' A' ' 20' ' ' ILE . 17.8 t80 -104.12 101.97 11.72 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.394 174.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 13.4 t70 -94.6 137.99 22.4 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.008 -177.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.95 -23.18 50.16 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.857 2.371 . . . . 0.0 113.349 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -76.08 -27.44 57.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.202 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.418 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 96.1 mt -76.4 141.9 41.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.27 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -98.29 163.0 12.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.574 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -72.29 -2.92 20.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.07 -174.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -102.89 0.12 31.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.873 0.368 . . . . 0.0 110.596 178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -123.33 170.33 10.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.0 0.428 . . . . 0.0 110.33 179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.656 HG23 ' H ' ' A' ' 70' ' ' ASN . 1.5 t -128.92 -70.65 0.66 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 177.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.9 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 9.4 p30 -144.16 171.55 6.63 Favored Pre-proline 0 C--N 1.307 -1.259 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 -174.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.9 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 25.8 Cg_endo -61.43 175.76 1.44 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.152 2.568 . . . . 0.0 113.62 -174.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.6 m 76.19 -67.02 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.273 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.7 48.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.151 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.604 ' HB3' ' O ' ' A' ' 10' ' ' GLN . 56.5 m -79.65 85.29 5.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.795 0.331 . . . . 0.0 110.733 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -131.33 120.22 22.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.622 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 24.0 t80 -92.01 114.66 27.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.232 0.539 . . . . 0.0 111.344 -173.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -116.1 103.56 53.14 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.037 174.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -58.29 -41.87 62.06 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.984 2.456 . . . . 0.0 112.598 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -146.97 146.81 30.21 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.777 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.5 pt? -90.87 -10.55 42.19 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -166.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 84' ' ' HIS . 0.0 OUTLIER -86.02 70.84 10.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.546 0.689 . . . . 0.0 112.421 -172.532 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -57.96 -45.14 87.14 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 171.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -95.15 108.73 20.86 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 166.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 81' ' ' GLU . 54.4 m-70 -72.33 116.75 13.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.187 -172.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 -61.41 114.27 3.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -111.79 169.55 8.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.624 -169.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.733 177.588 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.596 -0.15 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 176.19 -70.6 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 122.984 0.514 . . . . 0.0 109.784 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -91.54 136.3 33.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.175 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -104.55 29.45 6.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.022 0.439 . . . . 0.0 110.621 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -64.16 -39.11 93.31 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.361 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.3 pt -74.53 145.98 83.02 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.022 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.34 130.63 29.53 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.389 2.726 . . . . 0.0 113.099 -177.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -122.48 143.4 49.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.941 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -120.77 -174.54 2.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.261 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 75' ' ' LEU . 1.6 pp0? -137.34 121.87 18.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.98 0.419 . . . . 0.0 110.11 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.829 HD21 HD11 ' A' ' 18' ' ' ILE . 15.6 m120 -129.97 93.64 3.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.028 0.442 . . . . 0.0 110.476 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -89.01 -60.51 1.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.386 174.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.643 HD23 ' H ' ' A' ' 13' ' ' LEU . 2.5 pt? -71.45 -34.02 69.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.762 -178.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 128.74 -87.88 0.32 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.536 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.5 t80 68.71 86.73 0.13 Allowed 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -79.48 6.21 10.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -168.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.4 mt -140.5 110.42 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 170.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.829 HD11 HD21 ' A' ' 11' ' ' ASN . 32.2 mt -107.84 131.12 58.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.435 ' HB3' HD11 ' A' ' 64' ' ' LEU . 42.2 mt-10 -95.31 126.62 40.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.182 175.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.475 HG23 HG22 ' A' ' 18' ' ' ILE . 16.7 pt -143.68 166.73 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-O 121.051 0.453 . . . . 0.0 111.918 -178.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -118.52 23.85 8.81 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.723 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.74 168.48 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -118.39 -50.75 2.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -100.68 125.75 47.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.112 0.482 . . . . 0.0 110.644 -178.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -166.99 -172.41 2.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.892 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 22.4 ttt -130.88 127.54 38.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.901 0.381 . . . . 0.0 110.528 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 t -59.94 137.17 58.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.355 175.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.9 t -115.5 142.07 30.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.52 147.43 4.61 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.506 -0.855 . . . . 0.0 112.34 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.6 155.82 19.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.795 0.331 . . . . 0.0 110.661 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 m -153.29 -83.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 175.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.772 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 44.6 mt-30 -139.31 -58.05 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.957 177.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.772 ' HD3' ' HB2' ' A' ' 32' ' ' GLN . 5.9 Cg_exo -79.76 -58.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 122.116 1.877 . . . . 0.0 112.368 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' HB2' ' HD2' ' A' ' 38' ' ' HIS . 83.2 m-85 -79.54 133.68 36.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.932 -176.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -71.21 -61.5 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.697 -178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.748 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 98.2 m-70 -136.13 -51.97 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.616 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.748 ' HD2' ' H ' ' A' ' 36' ' ' HIS . 26.6 Cg_endo -64.07 107.91 0.86 Allowed 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 121.635 1.557 . . . . 0.0 110.279 170.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.466 ' HE1' ' O ' ' A' ' 53' ' ' TYR . 1.6 t-80 -95.72 -84.97 0.33 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -166.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.0 mm -132.14 133.4 60.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 -171.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.27 120.23 18.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.779 0.323 . . . . 0.0 110.38 176.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 39.6 mm -115.36 134.85 57.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.745 0.307 . . . . 0.0 110.188 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -134.71 153.74 51.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.482 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.413 ' HE1' HD11 ' A' ' 20' ' ' ILE . 61.1 mtt -129.04 118.56 22.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.757 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.04 -60.41 0.48 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.8 175.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.9 p -121.73 8.74 10.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.205 0.526 . . . . 0.0 110.988 -178.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.608 HG21 ' HE3' ' A' ' 49' ' ' LYS . 23.6 p -97.9 132.2 43.7 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.46 -177.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.11 -30.88 49.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.688 0.756 . . . . 0.0 109.393 176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HB2' HD21 ' A' ' 57' ' ' LEU . 9.6 pt-20 -134.14 127.93 33.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.559 178.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HE3' HG21 ' A' ' 46' ' ' THR . 15.2 mmtp -120.06 110.42 16.64 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.328 175.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.8 tt -92.04 156.5 3.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 54' ' ' CYS . 46.1 t -93.95 100.96 5.37 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 10.2 Cg_endo -52.94 -38.46 79.44 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.244 2.629 . . . . 0.0 111.57 -174.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.466 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 27.9 t80 -96.23 71.76 2.82 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.824 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.617 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 1.2 m 165.71 -60.25 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.82 0.848 . . . . 0.0 111.745 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 72.5 m 71.0 104.47 0.06 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.733 -160.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.466 ' OG1' ' HB3' ' A' ' 54' ' ' CYS . 1.1 m -165.6 33.0 0.05 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 -171.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 6.5 tt -36.24 101.79 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 113.581 -1.645 . . . . 0.0 112.257 -164.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.615 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 33.2 m-85 -86.78 105.02 16.7 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.075 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -104.64 129.07 52.83 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.284 -0.566 . . . . 0.0 110.723 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -91.2 94.68 9.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.38 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.547 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 14.5 t70 -93.96 136.82 23.37 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.041 -177.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -61.45 -19.23 63.58 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.017 2.478 . . . . 0.0 113.254 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 t -84.64 -12.94 52.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.12 0.486 . . . . 0.0 110.216 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.547 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 82.4 mt -88.5 173.56 8.61 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.5 m -150.95 -169.89 3.51 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.888 0.375 . . . . 0.0 111.173 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -82.95 -35.42 26.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.746 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -81.72 -33.57 31.04 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.079 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -111.86 122.69 48.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.606 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 70' ' ' ASN . 5.1 t -117.74 -120.22 0.31 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.744 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.608 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 7.6 p30 -100.35 164.06 17.03 Favored Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 122.465 0.306 . . . . 0.0 110.325 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.608 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 20.2 Cg_endo -60.94 164.29 14.42 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.169 2.58 . . . . 0.0 112.406 178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.6 m 72.03 -68.35 0.22 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.365 -175.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 134.57 59.11 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.636 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.484 ' HB3' HD21 ' A' ' 70' ' ' ASN . 52.4 t -76.14 85.32 2.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.245 0.545 . . . . 0.0 109.837 176.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 3.0 pp -152.36 147.53 26.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.466 177.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -86.2 94.08 9.21 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.086 0.469 . . . . 0.0 110.931 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -137.2 110.32 9.07 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.458 176.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -84.62 8.32 4.69 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 123.014 2.476 . . . . 0.0 113.995 -173.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -131.59 149.47 52.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.015 0.436 . . . . 0.0 111.137 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.7 mt -116.68 128.16 55.1 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -73.11 124.12 24.94 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.791 -173.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -71.92 81.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 171.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -167.63 -22.98 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.744 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -71.46 79.65 0.78 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 110.82 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.6 t60 170.64 -50.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 155.85 -35.23 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 113.064 -1.88 . . . . 0.0 106.963 177.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.243 0.741 0 CA-C-N 113.864 -1.516 . . . . 0.0 108.409 171.704 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.834 0.35 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.58 78.87 9.09 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -128.53 165.63 20.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.159 -175.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -87.89 102.32 14.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.064 0.459 . . . . 0.0 109.987 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -84.15 -175.72 5.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 pt -71.26 143.1 87.78 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.476 ' HG2' HG21 ' A' ' 22' ' ' VAL . 74.9 Cg_exo -50.93 108.7 0.25 Allowed 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.323 2.682 . . . . 0.0 113.147 -176.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -100.91 115.87 31.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.637 175.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.498 ' H ' ' HE1' ' A' ' 25' ' ' PHE . 40.0 m-85 -102.26 177.14 4.96 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.966 -178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -133.93 147.09 51.04 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.165 -172.526 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -130.47 92.91 3.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.905 0.86 . . . . 0.0 109.978 172.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -88.48 -39.22 14.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.083 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 13' ' ' LEU . 2.2 pp -91.92 -0.3 57.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.328 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.68 78.56 0.27 Allowed Glycine 0 CA--C 1.52 0.352 0 C-N-CA 121.06 -0.59 . . . . 0.0 112.928 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.612 ' HB3' HD11 ' A' ' 18' ' ' ILE . 2.8 t80 -86.0 121.71 29.01 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 178.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.783 ' HG3' ' HB3' ' A' ' 55' ' ' SER . 3.7 ttmp? -74.34 -33.45 63.14 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -166.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 52.7 mt -132.65 111.49 17.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.314 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.667 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 28.6 mm -109.11 124.01 65.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.628 ' HG3' ' HB3' ' A' ' 59' ' ' ARG . 10.7 mp0 -91.54 135.85 33.56 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 170.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.457 HG23 HG22 ' A' ' 18' ' ' ILE . 14.6 pt -144.43 163.85 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.709 0.29 . . . . 0.0 111.066 -179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.89 11.49 49.23 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.232 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG21 ' HG2' ' A' ' 7' ' ' PRO . 35.8 t -120.34 143.72 31.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -178.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 60.5 mttp -93.16 -24.24 18.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.664 0.268 . . . . 0.0 111.455 -176.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -99.69 116.26 31.37 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.082 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.498 ' HE1' ' H ' ' A' ' 9' ' ' PHE . 63.5 t80 -140.02 145.6 37.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.016 0.436 . . . . 0.0 110.801 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.485 ' HG2' ' HB3' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -126.57 116.61 21.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 175.416 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 27.2 t -80.53 107.98 13.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.139 -176.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -81.62 -29.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.976 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 74.87 -105.67 1.93 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.13 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.61 -77.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.036 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.2 p -99.41 12.34 36.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.628 -176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.656 ' HG2' ' HA ' ' A' ' 37' ' ' PRO . 19.1 mt-30 60.26 92.52 0.06 OUTLIER Pre-proline 0 N--CA 1.466 0.365 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.998 -176.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.68 -13.71 35.27 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.877 2.385 . . . . 0.0 112.708 -178.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -135.66 -171.37 2.83 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 20.1 m-20 -70.03 135.61 49.5 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 170.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.604 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 42.5 m80 71.6 165.31 0.13 Allowed Pre-proline 0 CA--C 1.537 0.469 0 O-C-N 123.827 0.704 . . . . 0.0 109.527 -171.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.656 ' HA ' ' HG2' ' A' ' 32' ' ' GLN . 5.4 Cg_exo -39.72 -66.41 0.14 Allowed 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 123.505 2.803 . . . . 0.0 113.22 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.781 ' HE1' ' HB2' ' A' ' 54' ' ' CYS . 10.6 t-160 -173.36 -97.98 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.996 173.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.546 HG21 ' HD2' ' A' ' 52' ' ' PRO . 33.0 mm -146.63 137.55 18.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -171.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.485 ' HB3' ' HG2' ' A' ' 26' ' ' MET . 37.5 p90 -95.91 144.12 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.445 HG23 ' HD3' ' A' ' 49' ' ' LYS . 2.9 mp -120.92 117.69 53.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.1 0.476 . . . . 0.0 110.143 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -113.39 130.56 56.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.908 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.657 ' SD ' ' HB2' ' A' ' 60' ' ' TYR . 65.3 mtt -88.7 90.26 8.33 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.898 0.38 . . . . 0.0 110.552 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.6 -71.1 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.225 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 p -89.55 -5.46 57.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.874 0.369 . . . . 0.0 111.262 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -137.44 151.42 48.49 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.924 0.392 . . . . 0.0 110.843 -176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.13 2.28 48.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.331 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 7.9 pt-20 -148.46 119.25 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.57 174.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.445 ' HD3' HG23 ' A' ' 41' ' ' ILE . 71.0 tttt -133.3 138.57 46.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.919 -173.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 13.8 tt -92.91 156.15 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 -176.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.546 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 54.0 t -93.66 108.04 31.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 174.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.546 ' HD2' HG21 ' A' ' 39' ' ' ILE . 50.1 Cg_exo -53.45 132.54 49.16 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 123.172 2.581 . . . . 0.0 112.397 -177.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 55.4 59.8 3.72 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.398 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.781 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 1.1 t -169.9 -50.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.979 -173.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.783 ' HB3' ' HG3' ' A' ' 16' ' ' LYS . 47.9 m 64.59 97.48 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.132 0 O-C-N 123.88 0.737 . . . . 0.0 109.412 -172.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -166.72 35.34 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 106.876 -1.527 . . . . 0.0 106.876 -170.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 4.5 tt -49.56 113.37 0.81 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 114.772 -1.104 . . . . 0.0 111.506 -166.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.667 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 69.2 m-85 -86.73 110.61 20.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.667 -174.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.628 ' HB3' ' HG3' ' A' ' 19' ' ' GLU . 42.5 ttm-85 -99.99 126.61 46.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.091 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.657 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 65.3 t80 -97.92 134.17 41.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.197 0.522 . . . . 0.0 111.224 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' A' ' 63' ' ' SER . 9.4 t0 -140.71 122.56 9.43 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.347 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.95 -15.33 32.42 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.035 2.49 . . . . 0.0 112.874 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.432 ' HB2' ' OD2' ' A' ' 61' ' ' ASP . 37.0 m -82.88 -7.48 59.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 111.034 178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.7 mt -91.34 129.07 37.37 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.8 t -80.63 160.77 24.97 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.809 0.338 . . . . 0.0 110.684 -178.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -66.51 -18.35 65.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.096 0.474 . . . . 0.0 110.64 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -90.64 5.89 46.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.683 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -129.83 143.01 50.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.182 0.515 . . . . 0.0 111.478 -174.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -116.93 -138.5 0.36 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.81 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 26.2 p-10 -100.45 -174.17 0.34 Allowed Pre-proline 0 C--N 1.317 -0.811 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.81 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 75.5 Cg_exo -39.34 110.09 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.26 0 C-N-CA 122.253 1.969 . . . . 0.0 111.537 174.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.8 m -50.4 98.03 0.02 OUTLIER 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.17 -0.923 . . . . 0.0 113.17 -165.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -151.2 14.43 0.85 Allowed Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 114.832 -1.077 . . . . 0.0 110.531 173.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 74.7 m -152.24 77.66 1.2 Allowed 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.185 -0.507 . . . . 0.0 109.82 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.02 115.61 11.31 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.434 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 81.7 t80 -110.51 96.66 6.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.225 0.536 . . . . 0.0 111.221 -177.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -137.13 109.58 9.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.368 172.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.22 107.77 1.03 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.967 2.445 . . . . 0.0 113.071 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -89.92 -164.87 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.761 175.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 82.0 mt -77.28 67.71 3.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.648 0.737 . . . . 0.0 110.117 174.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -101.71 21.59 14.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.282 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -96.07 111.66 23.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.725 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.472 ' HD2' ' O ' ' A' ' 86' ' ' HIS . 4.1 t-160 -81.32 9.46 7.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.338 0.59 . . . . 0.0 110.354 -177.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -92.94 -5.39 50.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -80.37 -40.63 26.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.219 0.533 . . . . 0.0 109.864 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.472 ' O ' ' HD2' ' A' ' 83' ' ' HIS . 55.8 t-80 -135.6 126.96 28.46 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.8 p80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.559 -0.734 . . . . 0.0 110.04 -176.778 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.75 27.2 5.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.59 0.71 . . . . 0.0 110.057 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -118.63 -169.18 1.67 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.858 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -104.18 -6.37 21.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.335 -173.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.544 ' HB3' ' HH ' ' A' ' 66' ' ' TYR . 38.9 t30 64.45 99.84 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.728 0.642 . . . . 0.0 110.374 -173.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 36.2 mm -85.01 112.89 46.62 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.521 -177.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -80.79 -178.29 4.31 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.786 2.324 . . . . 0.0 112.642 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 76' ' ' TYR . 37.7 m80 -116.0 138.14 51.48 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.268 0.556 . . . . 0.0 110.906 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -114.98 -173.9 2.39 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.785 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -112.44 168.81 9.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.368 -175.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -72.33 147.33 46.41 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -169.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.446 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 9.5 p-10 -73.08 -18.41 61.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.658 -1.155 . . . . 0.0 111.076 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.628 ' H ' HD12 ' A' ' 13' ' ' LEU . 5.0 mp -62.17 -30.92 71.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.322 178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.75 -36.07 3.58 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.92 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 60.5 m-85 -120.05 104.72 10.37 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -92.69 -3.27 55.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.434 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.5 mt -140.12 110.62 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.809 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 48.1 mm -107.05 124.39 62.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.217 0.532 . . . . 0.0 111.443 176.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.674 ' HG2' ' HB3' ' A' ' 59' ' ' ARG . 77.5 mt-10 -100.26 136.19 40.53 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 175.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.5 pt -150.05 157.89 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 O-C-N 123.036 0.21 . . . . 0.0 110.74 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -105.79 34.73 5.54 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.053 177.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.0 t -122.83 148.19 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 42' ' ' ASP . 57.0 mttm -91.68 -39.21 11.97 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.74 0.305 . . . . 0.0 110.639 -178.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.4 mp0 -111.74 127.85 55.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.43 ' HE1' ' SD ' ' A' ' 43' ' ' MET . 50.9 p90 -159.81 -177.56 6.44 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.98 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.572 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 26.2 ttt -133.11 134.91 44.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.872 0.367 . . . . 0.0 110.357 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 32.5 t -74.25 134.04 42.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.2 t -76.4 158.7 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.305 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.43 -141.22 4.62 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.923 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.62 -76.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.479 0.18 . . . . 0.0 111.43 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.4 p -85.13 -88.91 0.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.662 0.268 . . . . 0.0 111.235 -177.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -159.54 78.42 2.82 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.125 0.488 . . . . 0.0 111.583 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -69.34 -56.02 0.17 Allowed 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.257 1.971 . . . . 0.0 110.951 174.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -122.18 -10.7 8.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.949 174.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -175.51 -68.16 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.439 178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.721 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 64.1 m80 -148.61 -51.04 0.02 OUTLIER Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.414 174.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 36' ' ' HIS . 2.7 Cg_exo -77.43 -173.67 1.89 Allowed 'Trans proline' 0 C--N 1.358 1.029 0 C-N-CA 122.098 1.865 . . . . 0.0 111.061 171.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -89.56 -96.87 0.1 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.27 -178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.1 tt -148.2 155.42 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.572 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 37.4 p90 -77.47 134.33 38.37 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 123.245 0.341 . . . . 0.0 110.616 177.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 61.1 mt -127.97 140.38 49.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.54 ' HA ' ' O ' ' A' ' 23' ' ' LYS . 5.2 p-10 -134.5 143.06 47.24 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.0 111.28 179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.513 ' CE ' ' HB3' ' A' ' 49' ' ' LYS . 2.0 mpt? -107.67 125.12 50.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.126 176.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.09 -77.48 1.05 Allowed Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.047 -1.073 . . . . 0.0 110.517 170.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -127.82 79.41 1.89 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 173.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 m -137.48 125.59 22.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.365 -173.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -71.08 -36.81 72.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.127 -177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HB2' HD21 ' A' ' 57' ' ' LEU . 12.4 pt-20 -156.67 127.84 6.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.943 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.513 ' HB3' ' CE ' ' A' ' 43' ' ' MET . 52.4 tttp -127.43 124.02 37.46 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 -176.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.549 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 11.3 tt -88.66 154.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.015 0.436 . . . . 0.0 111.453 -173.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.558 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 53.3 t -96.36 103.23 13.29 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 8.7 Cg_endo -50.04 -62.88 0.34 Allowed 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 123.739 2.959 . . . . 0.0 113.825 -171.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -80.69 35.36 0.35 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 88.9 m -155.51 -47.98 0.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 m 69.66 95.53 0.07 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -164.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.453 HG22 HG12 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -158.32 33.68 0.24 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 -171.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.549 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 2.6 tt -37.83 107.92 0.07 Allowed 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 113.688 -1.596 . . . . 0.0 112.235 -163.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.809 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 94.6 m-85 -85.37 105.84 16.31 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.391 -176.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.674 ' HB3' ' HG2' ' A' ' 19' ' ' GLU . 19.7 ttt180 -94.05 113.92 25.99 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.383 -177.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -103.7 92.72 4.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.875 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -106.51 138.42 19.73 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.109 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -53.13 -20.75 14.83 Favored 'Trans proline' 0 CA--C 1.535 0.565 0 C-N-CA 123.439 2.76 . . . . 0.0 113.877 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.5 m -73.7 -14.55 61.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.004 0.43 . . . . 0.0 110.604 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.7 mt -93.36 -178.53 4.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.954 177.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.436 ' H ' ' HB2' ' A' ' 68' ' ' GLN . 70.5 m -159.08 -178.1 6.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.589 -176.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.544 ' HH ' ' HB3' ' A' ' 5' ' ' ASN . 71.0 t80 -61.93 -44.16 97.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.879 -174.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -87.78 -1.16 57.79 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.348 0.595 . . . . 0.0 110.689 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.436 ' HB2' ' H ' ' A' ' 65' ' ' SER . 76.5 mt-30 -104.92 116.58 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 t -100.08 -131.44 0.24 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.864 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.536 ' C ' HD22 ' A' ' 70' ' ' ASN . 0.3 OUTLIER -100.66 163.81 17.39 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 122.314 -0.241 . . . . 0.0 110.926 -174.651 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 74.6 Cg_exo -49.13 126.12 14.74 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.142 2.561 . . . . 0.0 111.659 177.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 87.7 m 67.94 105.62 0.05 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 O-C-N 123.582 0.552 . . . . 0.0 109.759 -170.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.08 97.25 0.1 Allowed Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 113.166 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.64 ' O ' ' HG ' ' A' ' 75' ' ' LEU . 41.4 m -92.0 -94.52 0.14 Allowed 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER 47.13 -175.36 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.309 1.006 . . . . 0.0 112.221 -177.58 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.517 ' HB3' ' HB3' ' A' ' 8' ' ' HIS . 28.5 t80 -113.05 96.71 6.08 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.133 0.492 . . . . 0.0 110.302 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -116.08 106.83 48.78 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.371 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -73.47 96.41 0.9 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.615 2.21 . . . . 0.0 112.757 -176.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -98.61 94.74 6.83 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 173.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.6 mt -90.94 122.59 33.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.232 -169.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 82' ' ' HIS . 0.8 OUTLIER -144.1 -162.55 1.49 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 171.277 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.535 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 17.5 p-80 49.19 23.89 0.87 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.052 0.941 . . . . 0.0 111.927 -176.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -98.91 131.66 44.82 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 175.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -151.4 140.32 20.99 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 121.072 -0.251 . . . . 0.0 110.601 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -90.93 -40.02 11.94 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 170.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -130.27 -44.27 1.14 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.428 -1.26 . . . . 0.0 108.457 165.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.663 -0.684 . . . . 0.0 109.789 173.042 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.17 138.8 42.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.673 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -78.79 116.88 19.42 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.912 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -70.02 105.14 2.76 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -78.9 154.63 29.56 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.232 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.9 pt -71.36 137.99 83.95 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.003 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -59.47 126.11 19.79 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.489 2.126 . . . . 0.0 112.66 -177.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.701 ' HD2' ' HB3' ' A' ' 76' ' ' TYR . 4.8 p-80 -90.68 127.3 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.356 174.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -106.86 172.62 6.72 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -170.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.562 HE22 ' HD3' ' A' ' 79' ' ' LYS . 3.8 pt20 -162.3 142.7 10.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.946 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -132.28 113.72 13.57 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.33 -22.36 60.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.342 . . . . 0.0 111.257 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.6 mt -86.62 -25.16 25.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.862 0.363 . . . . 0.0 110.977 -175.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.12 -92.51 1.65 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.739 177.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 68.78 -176.32 0.2 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.195 0.598 . . . . 0.0 110.65 -176.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' C ' ' HA ' ' A' ' 56' ' ' THR . 59.2 mttm -128.52 10.49 6.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.37 0.605 . . . . 0.0 110.378 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 78.7 mt -147.58 110.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.587 173.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.736 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 94.1 mt -107.95 129.46 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.899 175.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -90.98 137.02 32.69 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.756 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 13.9 pt -137.46 148.68 25.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.896 0.379 . . . . 0.0 111.2 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.44 23.23 33.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 121.046 -0.597 . . . . 0.0 112.206 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.8 m -136.23 146.65 28.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -95.82 6.97 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.998 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -131.74 118.38 19.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.085 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.644 ' HD1' HD12 ' A' ' 41' ' ' ILE . 52.8 t80 -141.06 157.62 45.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.362 -172.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.457 ' HG3' ' O ' ' A' ' 39' ' ' ILE . 23.8 ttt -147.11 150.87 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 169.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 83.9 m -57.44 -49.54 75.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.587 177.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 80.5 t 69.84 -54.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 C-N-CA 122.96 0.504 . . . . 0.0 110.22 -172.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.11 -179.99 29.06 Favored Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 34' ' ' PHE . . . -176.24 -36.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 117.131 0.466 . . . . 0.0 110.751 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.963 ' HA ' ' HB3' ' A' ' 35' ' ' ASP . 55.7 p 67.33 -73.28 0.08 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.717 1.207 . . . . 0.0 111.904 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.58 ' HB2' ' HD3' ' A' ' 33' ' ' PRO . 1.7 mp0 -68.34 -54.67 14.22 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 117.835 0.288 . . . . 0.0 111.108 178.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 32' ' ' GLN . 10.9 Cg_exo -74.34 42.23 0.75 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.35 2.033 . . . . 0.0 111.659 169.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 53' ' ' TYR . 71.8 m-85 72.72 117.67 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.244 1.018 . . . . 0.0 111.69 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.963 ' HB3' ' HA ' ' A' ' 31' ' ' THR . 7.9 p-10 -82.48 -168.92 2.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.531 176.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.741 ' HB3' ' HD2' ' A' ' 37' ' ' PRO . 36.4 m80 69.42 175.3 0.08 OUTLIER Pre-proline 0 N--CA 1.469 0.492 0 O-C-N 123.49 0.494 . . . . 0.0 109.739 -175.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.741 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 19.3 Cg_endo -60.39 94.67 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 121.829 1.686 . . . . 0.0 110.959 171.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 53' ' ' TYR . 12.8 t-80 -71.04 -79.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 -172.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 26' ' ' MET . 22.6 mm -144.66 137.08 21.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.934 -169.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -81.68 130.71 35.15 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.644 HD12 ' HD1' ' A' ' 25' ' ' PHE . 25.0 mt -124.23 85.41 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.857 0.36 . . . . 0.0 111.003 -173.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -107.0 135.59 48.3 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 175.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 65.8 mtt -83.73 -56.7 3.57 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.435 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.99 -91.31 0.15 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.585 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.3 m -72.88 -34.83 66.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.716 0.293 . . . . 0.0 111.373 -178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -96.06 165.22 12.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.193 0.52 . . . . 0.0 111.83 -174.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -112.62 23.81 13.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.985 0.898 . . . . 0.0 109.217 175.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -163.95 155.0 15.91 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.23 176.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -165.25 146.67 7.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.384 . . . . 0.0 110.452 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.2 tt -108.31 142.35 21.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 52' ' ' PRO . 36.8 t -94.12 119.37 66.77 Favored Pre-proline 0 C--N 1.325 -0.494 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.171 177.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 51' ' ' CYS . 11.8 Cg_endo -56.24 144.77 80.38 Favored 'Trans proline' 0 C--O 1.239 0.566 0 C-N-CA 122.607 2.204 . . . . 0.0 111.453 177.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.553 ' HB3' ' CE2' ' A' ' 34' ' ' PHE . 92.6 m-85 65.84 13.02 8.77 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.633 178.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.9 m -134.16 -55.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.154 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.0 m 55.47 87.24 0.05 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 121.576 0.703 . . . . 0.0 111.395 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.54 ' HA ' ' C ' ' A' ' 16' ' ' LYS . 2.9 m -151.66 57.53 0.87 Allowed 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.1 tp -30.16 112.17 0.08 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 113.676 -1.602 . . . . 0.0 112.79 -164.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.736 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 71.9 m-85 -85.76 107.34 17.57 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.508 -177.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 59' ' ' ARG . 17.1 tpt85 -101.46 121.65 42.34 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.142 -0.936 . . . . 0.0 110.673 -174.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -92.62 97.31 10.72 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.092 0.472 . . . . 0.0 109.825 176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . 11.2 m-20 -90.9 131.66 36.74 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.629 176.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.24 -12.48 35.01 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.385 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -84.86 -9.96 57.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.382 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 61' ' ' ASP . 93.3 mt -89.53 170.42 10.51 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.67 -178.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 m -153.41 -160.81 1.16 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.78 -176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -67.22 -41.41 85.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.737 0.303 . . . . 0.0 110.855 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -92.61 -47.09 7.28 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.396 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -84.53 116.62 23.23 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.756 ' OG1' ' HA ' ' A' ' 20' ' ' ILE . 3.0 t -151.2 -59.93 0.17 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.329 0.585 . . . . 0.0 110.525 -175.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.706 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 8.2 p30 -152.52 165.92 16.49 Favored Pre-proline 0 C--N 1.312 -1.042 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.706 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 18.9 Cg_endo -60.31 134.29 54.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 123.024 2.483 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 71' ' ' PRO . 28.0 m 80.5 142.28 0.07 Allowed 'General case' 0 CA--C 1.534 0.361 0 O-C-N 123.827 0.704 . . . . 0.0 110.8 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -55.95 109.83 1.65 Allowed Glycine 0 C--N 1.333 0.405 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.467 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.678 ' SG ' HG21 ' A' ' 69' ' ' THR . 30.1 p -76.86 -10.27 59.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.628 0.251 . . . . 0.0 111.532 -176.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.8 mm? -78.63 130.13 35.54 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 178.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.701 ' HB3' ' HD2' ' A' ' 8' ' ' HIS . 37.4 t80 -80.71 94.75 6.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.437 0.636 . . . . 0.0 109.998 -179.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -119.41 156.81 52.79 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.043 -0.981 . . . . 0.0 109.212 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -57.92 99.2 0.09 OUTLIER 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.576 2.184 . . . . 0.0 112.48 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.562 ' HD3' HE22 ' A' ' 10' ' ' GLN . 40.6 mtmt -86.45 91.21 8.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.44 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 48.2 tp -81.09 -29.7 34.84 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.97 -174.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 59.87 74.86 0.43 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.558 0.536 . . . . 0.0 110.969 -176.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -75.72 -80.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 40.96 -126.84 0.49 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.983 0.802 . . . . 0.0 110.377 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 58.43 90.36 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.534 0.522 . . . . 0.0 112.168 172.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -81.08 159.02 24.85 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.097 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.5 m170 -102.42 -52.53 3.1 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 . . . . . 0 C--O 1.245 0.852 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.151 176.167 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mtp . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.28 110.26 15.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.866 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.0 p30 44.26 44.42 6.58 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.295 0.997 . . . . 0.0 112.142 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -72.72 144.4 47.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.787 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -59.14 124.16 19.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.445 0.64 . . . . 0.0 111.465 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 41.4 pt -115.57 155.71 46.99 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.049 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.93 136.98 73.34 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.348 2.032 . . . . 0.0 111.604 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 m170 -107.66 155.65 19.92 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -116.74 159.88 21.61 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -128.23 141.44 51.46 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.578 ' HA ' ' HE1' ' A' ' 15' ' ' TYR . 5.8 p-10 -119.21 112.28 19.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.588 0.709 . . . . 0.0 111.394 -178.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -88.29 -68.02 0.79 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.285 175.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.827 HD23 ' H ' ' A' ' 13' ' ' LEU . 2.0 pt? -96.29 -8.02 33.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.476 179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.16 144.48 14.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.526 -176.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' HE1' ' HA ' ' A' ' 11' ' ' ASN . 36.8 m-85 -128.61 108.58 10.62 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 55' ' ' SER . 91.7 mttt -102.65 -5.59 23.65 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.463 -173.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 69.7 mt -143.42 110.35 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 172.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.701 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 70.6 mt -124.23 119.44 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.205 0.526 . . . . 0.0 111.57 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 33.8 mt-10 -92.9 132.43 37.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.883 176.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.458 HD12 HG23 ' A' ' 22' ' ' VAL . 24.8 pt -133.84 155.45 39.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.805 0.336 . . . . 0.0 111.413 -174.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -95.79 17.99 58.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.539 178.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG23 HD12 ' A' ' 20' ' ' ILE . 30.5 m -124.41 176.29 5.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.782 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 39.5 ttmt -115.8 -25.79 7.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.209 0.528 . . . . 0.0 110.537 -176.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.8 104.63 12.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.266 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -146.73 152.26 38.52 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.449 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 26.2 ttt -114.46 128.37 56.3 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.967 0.413 . . . . 0.0 110.574 -179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.424 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 8.5 t -69.82 125.15 25.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.623 178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 36' ' ' HIS . 3.6 p -110.94 132.77 58.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 174.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -155.07 61.16 0.37 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.836 -178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.52 ' HB2' ' HA ' ' A' ' 36' ' ' HIS . . . -65.71 95.45 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.772 0.32 . . . . 0.0 111.282 -178.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.6 m -157.96 -59.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.358 177.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.793 ' HB3' ' HD3' ' A' ' 33' ' ' PRO . 6.7 tp-100 -136.44 -57.74 0.02 OUTLIER Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.202 -178.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.793 ' HD3' ' HB3' ' A' ' 32' ' ' GLN . 5.9 Cg_exo -78.91 101.96 1.49 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.893 1.728 . . . . 0.0 111.02 175.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.46 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 87.7 m-85 75.25 142.27 0.07 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.405 1.066 . . . . 0.0 110.519 -172.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -79.82 -25.8 40.7 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -169.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.724 ' HB2' ' HD3' ' A' ' 37' ' ' PRO . 98.4 m-70 -132.34 -58.61 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.483 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.724 ' HD3' ' HB2' ' A' ' 36' ' ' HIS . 91.9 Cg_endo -87.38 -157.13 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 121.784 1.656 . . . . 0.0 111.537 178.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -147.59 -86.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.773 0.321 . . . . 0.0 110.567 171.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.5 mm -144.02 134.37 20.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.01 -173.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.449 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 37.3 p90 -76.54 138.28 40.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.45 HG13 ' CD2' ' A' ' 58' ' ' TYR . 47.4 mm -119.25 110.35 29.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.156 0.503 . . . . 0.0 110.833 -178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -105.73 130.72 53.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.501 174.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.782 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 61.5 mtt -95.85 95.24 8.13 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.33 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.66 62.72 3.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.873 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.0 m 63.62 91.57 0.07 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.214 0.606 . . . . 0.0 111.096 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.9 t -161.72 164.61 28.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.37 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -79.79 -43.74 21.9 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.25 0.547 . . . . 0.0 109.761 176.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -159.22 147.85 18.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.425 -177.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -136.55 133.59 36.59 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.776 0.322 . . . . 0.0 110.405 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 5.8 tt -79.82 167.87 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.457 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 18.9 t -119.39 111.37 36.6 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.828 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -58.96 145.25 98.03 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.853 2.368 . . . . 0.0 112.836 -177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.559 ' O ' ' HB3' ' A' ' 54' ' ' CYS . 70.1 m-85 69.74 32.76 3.14 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.987 172.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.559 ' HB3' ' O ' ' A' ' 53' ' ' TYR . 14.5 p 172.79 -27.5 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 170.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 48.0 m 69.49 139.67 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.552 0.691 . . . . 0.0 109.866 -168.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.463 ' H ' ' H ' ' A' ' 57' ' ' LEU . 4.3 m -167.18 -18.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 106.522 -1.658 . . . . 0.0 106.522 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 0.8 OUTLIER 27.55 88.61 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 113.472 -1.695 . . . . 0.0 113.589 169.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.701 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 79.4 m-85 -88.17 117.1 26.83 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.228 0.537 . . . . 0.0 110.341 178.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 36.3 mtp180 -106.82 140.95 38.84 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.814 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.469 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 69.7 t80 -119.28 98.75 6.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.399 0.619 . . . . 0.0 110.603 177.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.513 ' H ' HD12 ' A' ' 64' ' ' LEU . 10.2 t70 -100.56 133.73 21.09 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 175.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -54.03 -18.5 13.51 Favored 'Trans proline' 0 CA--C 1.535 0.531 0 C-N-CA 123.055 2.503 . . . . 0.0 113.785 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.8 p -83.81 -9.44 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.218 -0.301 . . . . 0.0 111.374 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.513 HD12 ' H ' ' A' ' 61' ' ' ASP . 84.5 mt -83.36 115.59 22.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.499 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 41.3 m -66.5 158.92 28.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -69.88 -3.57 16.45 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -115.26 4.97 14.59 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.174 0.511 . . . . 0.0 110.108 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -97.99 154.96 17.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.446 -174.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.522 HG21 HD21 ' A' ' 75' ' ' LEU . 14.6 t -148.39 -161.52 1.36 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.767 -176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.531 ' HB3' HG23 ' A' ' 18' ' ' ILE . 26.4 t-20 -100.67 138.91 20.22 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 6.1 Cg_exo -77.37 -172.43 1.45 Allowed 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 124.139 3.226 . . . . 0.0 114.5 -168.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.1 m 83.29 73.78 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.675 -1.148 . . . . 0.0 112.072 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 49.88 55.61 14.24 Favored Glycine 0 C--N 1.337 0.604 0 CA-C-N 115.847 -0.615 . . . . 0.0 113.542 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 5.6 p -101.29 -175.64 2.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -175.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.522 HD21 HG21 ' A' ' 69' ' ' THR . 3.7 mm? 73.19 123.53 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.711 178.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -101.93 83.06 2.32 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 173.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -90.08 163.97 29.8 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.591 -171.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.35 155.18 16.85 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.625 2.217 . . . . 0.0 111.292 170.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.8 mtmm -82.85 32.36 0.43 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.708 -170.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.9 tp 52.53 69.23 0.71 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.902 0.858 . . . . 0.0 109.485 -173.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -102.24 -166.83 1.33 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.067 -171.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -79.6 174.27 11.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.409 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -74.27 92.55 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -73.9 112.97 10.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.413 0.625 . . . . 0.0 112.076 -174.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -76.76 115.9 16.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.848 173.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -73.93 -64.92 0.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.87 0.366 . . . . 0.0 110.383 -176.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 . . . . . 0 C--O 1.246 0.908 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 176.656 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.07 175.8 0.23 Allowed 'General case' 0 C--O 1.234 0.284 0 O-C-N 124.018 0.824 . . . . 0.0 111.701 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.13 92.37 6.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -171.8 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.503 -174.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -75.07 138.68 42.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.744 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 48.7 mm -73.67 121.64 85.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.374 178.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 6' ' ' ILE . 24.3 Cg_exo -63.45 135.89 52.01 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.897 2.398 . . . . 0.0 112.994 -177.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -125.24 153.02 43.81 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 173.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 42.8 m-85 -117.23 177.67 4.64 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.732 -172.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.438 HE21 ' HB2' ' A' ' 10' ' ' GLN . 1.3 pt20 -131.01 154.69 47.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.685 0.279 . . . . 0.0 110.598 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -118.5 93.24 4.04 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -79.35 -67.82 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.869 0.366 . . . . 0.0 110.21 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.856 HD23 ' H ' ' A' ' 13' ' ' LEU . 1.7 pt? -83.87 -28.09 28.22 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 15' ' ' TYR . . . 135.87 -85.47 0.25 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.437 177.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 12.6 m-85 73.5 122.26 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.321 0.659 . . . . 0.0 111.27 -175.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 55' ' ' SER . 64.2 mttp -99.54 3.81 45.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.218 176.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 72.6 mt -140.6 110.77 3.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.582 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.768 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 26.6 mm -108.42 121.52 61.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.722 0.772 . . . . 0.0 111.505 173.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.24 130.3 44.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.518 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' A' ' 9' ' ' PHE . 1.5 pp -149.04 164.24 4.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.936 0.398 . . . . 0.0 111.708 -174.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -108.28 19.6 31.71 Favored Glycine 0 N--CA 1.45 -0.375 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.421 ' O ' HD13 ' A' ' 20' ' ' ILE . 39.3 t -109.56 125.03 66.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 43' ' ' MET . 34.9 mtmt -93.14 -22.56 19.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.008 0.433 . . . . 0.0 110.941 -175.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -130.15 104.62 7.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.603 -171.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -156.63 171.52 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.343 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.556 ' HA ' ' HA ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -112.22 120.48 41.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.25 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.631 ' HB3' ' O ' ' A' ' 39' ' ' ILE . 2.6 t -73.98 137.47 43.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.119 0.485 . . . . 0.0 111.614 -176.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.803 HG22 ' H ' ' A' ' 29' ' ' GLY . 11.3 p -100.97 -141.48 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.803 ' H ' HG22 ' A' ' 28' ' ' VAL . . . 120.57 -56.89 0.59 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.732 -0.746 . . . . 0.0 111.884 176.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.458 ' O ' ' HD2' ' A' ' 33' ' ' PRO . . . -84.09 -46.81 11.57 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.0 m 77.12 -44.47 0.45 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.462 176.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.912 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -119.31 -51.05 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 119.411 -0.328 . . . . 0.0 111.483 177.582 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.648 ' HD3' ' HB3' ' A' ' 32' ' ' GLN . 50.0 Cg_exo -55.94 162.74 6.66 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.957 1.771 . . . . 0.0 111.914 172.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 33' ' ' PRO . 82.9 m-85 67.17 -163.18 0.22 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.225 -171.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -113.4 117.77 32.67 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.995 ' HB2' ' HD2' ' A' ' 37' ' ' PRO . 14.4 p80 48.31 -167.67 0.01 OUTLIER Pre-proline 0 N--CA 1.478 0.965 0 O-C-N 124.044 0.84 . . . . 0.0 111.12 -175.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.995 ' HD2' ' HB2' ' A' ' 36' ' ' HIS . 40.1 Cg_exo -38.28 137.24 0.52 Allowed 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 121.997 1.798 . . . . 0.0 111.648 167.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.476 ' HE1' ' O ' ' A' ' 52' ' ' PRO . 13.2 t-80 -53.24 -81.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -165.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.631 ' O ' ' HB3' ' A' ' 27' ' ' CYS . 51.1 mt -147.79 127.28 4.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.856 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.009 -173.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 26' ' ' MET . 54.5 p90 -77.6 142.13 39.11 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.996 0.427 . . . . 0.0 110.839 -176.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.5 mm -113.37 127.07 70.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.546 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -131.48 111.8 12.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.344 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.704 ' HB2' ' HB3' ' A' ' 23' ' ' LYS . 1.1 mpt? -75.06 82.83 2.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.988 0.423 . . . . 0.0 110.511 176.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.09 72.12 1.14 Allowed Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.832 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.4 m 66.85 13.41 9.4 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.148 0.579 . . . . 0.0 111.466 178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.5 t -104.49 156.23 18.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.183 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.63 -35.81 22.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.6 -174.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.508 ' HB2' HD21 ' A' ' 57' ' ' LEU . 10.6 pt-20 -139.21 145.14 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.889 0.376 . . . . 0.0 111.411 -177.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -144.12 136.12 26.32 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.027 174.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 55' ' ' SER . 14.8 tt -104.36 144.99 13.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.426 ' HB2' ' HE2' ' A' ' 58' ' ' TYR . 44.4 t -93.63 115.55 65.24 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 178.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.476 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 31.5 Cg_exo -58.95 147.41 89.81 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.775 2.317 . . . . 0.0 110.886 176.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 62.81 34.23 14.65 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.437 0.461 . . . . 0.0 110.438 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 33.1 m -155.1 -49.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.068 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.621 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 13.0 p 48.02 92.66 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.71 0.767 . . . . 0.0 110.12 -166.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.431 HG22 HG12 ' A' ' 18' ' ' ILE . 3.0 m -158.77 41.69 0.24 Allowed 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.209 -1.774 . . . . 0.0 106.209 -169.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 48' ' ' GLU . 8.5 tt -40.22 114.22 0.43 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 113.822 -1.536 . . . . 0.0 112.163 -165.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.768 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 71.4 m-85 -91.12 113.71 26.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.637 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 ttp85 -109.63 126.36 53.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.905 0.383 . . . . 0.0 110.674 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -96.94 100.97 12.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.858 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.98 133.56 21.24 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.2 -11.16 7.38 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 123.542 2.828 . . . . 0.0 114.412 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 55.1 p -77.75 -16.96 58.05 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 110.304 175.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 75.9 mt -97.4 -173.54 2.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.934 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.1 t -165.69 -167.98 1.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -69.42 -33.71 73.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.919 0.39 . . . . 0.0 110.649 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -94.96 -23.82 17.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.37 116.92 25.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.958 0.409 . . . . 0.0 110.505 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 t -115.56 -143.51 0.38 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.748 -175.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.596 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 4.2 p-10 -100.22 162.66 20.21 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 122.48 0.312 . . . . 0.0 111.537 -171.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.596 ' HD2' ' HB2' ' A' ' 70' ' ' ASN . 7.6 Cg_endo -50.19 149.77 11.69 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.669 2.913 . . . . 0.0 112.78 179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.9 m 74.07 -49.25 0.67 Allowed 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.218 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 108.38 105.65 3.01 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.304 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 81.1 m -130.25 89.83 2.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.086 0.47 . . . . 0.0 110.564 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 9' ' ' PHE . 3.1 pp -138.39 151.29 47.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.871 -178.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -84.29 102.51 12.73 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.256 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -83.44 116.96 67.15 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.701 178.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.08 122.72 11.93 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.656 2.237 . . . . 0.0 112.369 -179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -76.79 134.06 39.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.405 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 93.8 mt -102.87 80.34 1.87 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.71 116.46 20.74 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.768 -174.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -119.49 39.31 3.64 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.391 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -67.99 -22.29 65.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.302 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -79.66 101.28 8.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -53.9 118.02 3.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.635 0.731 . . . . 0.0 112.188 -169.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -82.55 146.75 29.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.48 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.087 -0.959 . . . . 0.0 109.345 178.158 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.018 0.437 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.49 176.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.404 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -87.15 130.27 34.6 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 172.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -102.44 16.48 26.18 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.931 0.396 . . . . 0.0 111.556 -171.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -110.64 75.7 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.982 0.42 . . . . 0.0 110.328 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.9 pt -79.39 148.47 70.46 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.2 117.84 4.71 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.792 2.328 . . . . 0.0 112.321 -178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 65.3 m80 -90.83 133.66 35.04 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -110.75 156.73 20.65 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.756 0.313 . . . . 0.0 111.316 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 76' ' ' TYR . 8.8 pt20 -131.52 163.02 28.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.132 177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.538 ' HB3' ' HD2' ' A' ' 15' ' ' TYR . 16.8 p-10 -98.67 114.81 27.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.275 0.559 . . . . 0.0 110.722 178.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.455 ' HB3' HG23 ' A' ' 72' ' ' THR . 24.9 t70 -83.81 -55.84 4.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.301 178.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -115.31 9.23 15.62 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.555 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 115.7 -166.4 12.26 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.445 -177.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.538 ' HD2' ' HB3' ' A' ' 11' ' ' ASN . 28.7 p90 -162.47 157.93 23.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -162.42 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.473 HG23 HD22 ' A' ' 57' ' ' LEU . 71.4 mt -137.43 110.47 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.077 169.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 62.9 mt -108.84 117.92 55.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.131 0.491 . . . . 0.0 111.5 178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 64' ' ' LEU . 37.8 mt-10 -91.45 128.25 37.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.01 178.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.9 pt -125.84 147.21 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.976 0.417 . . . . 0.0 111.135 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.13 31.77 8.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.648 177.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 t -120.59 149.31 23.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.547 ' HD3' ' HB2' ' A' ' 43' ' ' MET . 3.2 tmtm? -83.98 -32.01 25.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.069 0.461 . . . . 0.0 110.389 -175.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -124.19 140.94 52.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.048 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -155.79 167.84 29.11 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.484 ' CE ' ' HB2' ' A' ' 37' ' ' PRO . 19.3 ttt -146.48 141.69 27.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.869 0.366 . . . . 0.0 110.473 175.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 38.3 t -70.76 135.41 48.18 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.076 -175.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.866 HG22 ' H ' ' A' ' 29' ' ' GLY . 9.8 p -106.92 -164.79 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.431 178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.866 ' H ' HG22 ' A' ' 28' ' ' VAL . . . -159.43 -174.61 29.38 Favored Glycine 0 C--N 1.331 0.274 0 N-CA-C 111.646 -0.581 . . . . 0.0 111.646 178.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.7 -86.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 111.142 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.5 p -94.67 -63.67 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.096 0.474 . . . . 0.0 110.093 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -116.74 103.09 52.82 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.667 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -69.03 -31.9 22.75 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.886 2.39 . . . . 0.0 112.57 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.823 ' HB2' ' HD2' ' A' ' 38' ' ' HIS . 44.5 t80 177.56 174.58 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -174.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.2 -32.88 70.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.616 0.722 . . . . 0.0 110.134 174.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.674 ' O ' ' HB3' ' A' ' 34' ' ' PHE . 37.2 m80 -129.28 179.47 1.29 Allowed Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 174.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.573 ' HD2' ' HB3' ' A' ' 36' ' ' HIS . 71.3 Cg_exo -50.19 127.33 19.53 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 121.121 1.214 . . . . 0.0 109.61 166.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.823 ' HD2' ' HB2' ' A' ' 34' ' ' PHE . 2.8 t-80 -49.42 -75.01 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.955 1.095 . . . . 0.0 113.955 -159.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.434 ' O ' ' HG3' ' A' ' 26' ' ' MET . 30.1 mm -144.19 130.86 16.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.035 -173.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -71.75 130.67 41.68 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.496 0.498 . . . . 0.0 109.67 174.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.9 mt -121.79 88.02 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.366 0.603 . . . . 0.0 110.465 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.78 155.77 17.46 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.643 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.547 ' HB2' ' HD3' ' A' ' 23' ' ' LYS . 13.8 mmt -119.92 45.82 2.08 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.538 -176.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.74 -46.72 59.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.443 -0.884 . . . . 0.0 111.602 174.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.2 t -169.42 98.59 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 172.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.783 HG21 ' HG3' ' A' ' 49' ' ' LYS . 17.0 m -155.11 -40.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.867 -178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 77.39 -52.37 0.54 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.068 0.947 . . . . 0.0 110.368 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' HB2' HD21 ' A' ' 57' ' ' LEU . 4.2 pt-20 -132.04 113.41 13.34 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.762 176.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.783 ' HG3' HG21 ' A' ' 46' ' ' THR . 9.3 tttp -116.25 114.55 24.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -173.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.552 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 15.2 tt -84.73 141.58 14.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 22.7 t -95.36 121.8 61.03 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.328 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.11 153.98 42.36 Favored 'Trans proline' 0 C--O 1.244 0.786 0 C-N-CA 122.842 2.362 . . . . 0.0 111.828 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.9 m-85 61.52 26.61 16.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.612 -178.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 55' ' ' SER . 86.9 m -149.69 -69.14 0.2 Allowed 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 49.4 m 70.44 117.13 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -160.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.433 ' H ' ' H ' ' A' ' 57' ' ' LEU . 6.9 t 177.84 -14.71 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -165.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 5.4 tt 27.7 87.47 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 125.131 1.519 . . . . 0.0 113.024 172.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.605 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 78.4 m-85 -80.35 116.33 20.37 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 54.8 ttt85 -110.77 121.9 46.47 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.006 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -84.19 88.01 7.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 19.5 t70 -94.62 122.06 61.69 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.516 -173.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 26.9 Cg_exo -62.68 -17.48 59.1 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.083 2.522 . . . . 0.0 113.564 -176.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -81.43 -7.74 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.509 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 19' ' ' GLU . 98.1 mt -86.64 -165.08 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.804 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t -152.67 168.92 24.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.11 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -63.69 -25.24 68.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.191 0.519 . . . . 0.0 110.285 175.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -98.0 -6.72 31.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.354 -177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -133.59 116.52 15.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.865 0.364 . . . . 0.0 110.939 -173.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.9 t -116.05 -122.28 0.29 Allowed 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.805 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 7.2 t30 -100.44 134.15 20.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -177.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 70' ' ' ASN . 10.9 Cg_exo -69.55 106.87 1.7 Allowed 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.517 2.145 . . . . 0.0 111.38 -177.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.455 HG23 ' HB3' ' A' ' 12' ' ' ASP . 8.0 m 172.46 146.3 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.399 -1.334 . . . . 0.0 107.399 -173.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -66.68 70.92 0.17 Allowed Glycine 0 CA--C 1.521 0.418 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.027 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 53.7 m -82.7 -153.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 122.731 0.413 . . . . 0.0 111.054 -176.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 3.2 mm? 64.18 95.61 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.838 0.711 . . . . 0.0 111.623 -177.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.451 ' HB2' ' HB3' ' A' ' 10' ' ' GLN . 3.9 t80 -88.29 89.47 8.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.151 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -130.26 124.09 21.04 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.488 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.79 132.56 28.89 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.609 2.206 . . . . 0.0 112.476 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -94.78 1.67 55.44 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.484 0.659 . . . . 0.0 109.511 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.7 mt -94.05 138.8 31.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.64 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -127.95 164.67 21.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.338 178.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -138.54 140.73 39.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -73.13 -60.45 2.23 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -143.02 -69.6 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 170.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -156.41 115.15 3.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.238 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -68.06 -71.98 0.19 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 C--O 1.246 0.914 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 176.421 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.716 0.293 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.91 165.99 12.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.647 0.26 . . . . 0.0 110.695 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -90.33 96.64 10.76 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -97.56 44.32 1.05 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.446 0.641 . . . . 0.0 110.372 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -72.5 80.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.969 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 25.2 pt -71.11 138.56 84.72 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.215 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.4 120.46 8.13 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.985 2.457 . . . . 0.0 112.445 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.479 ' HD2' ' HB3' ' A' ' 76' ' ' TYR . 19.4 p-80 -130.9 124.17 30.56 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.373 177.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 38.3 m-85 -112.0 -179.46 3.69 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.009 -171.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.548 ' HG2' ' H ' ' A' ' 75' ' ' LEU . 10.1 pt20 -120.27 159.34 25.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.302 -175.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.434 ' HB3' ' HA2' ' A' ' 14' ' ' GLY . 28.4 m-80 -119.53 101.62 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.739 174.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.77 -63.47 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.476 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.573 HD23 ' H ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -105.2 -1.2 25.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.689 178.355 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA2' ' HB3' ' A' ' 11' ' ' ASN . . . 83.56 104.13 0.53 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.539 -175.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.427 ' OH ' HG21 ' A' ' 72' ' ' THR . 35.4 m-85 -96.88 133.79 41.05 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -176.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -84.83 -20.13 31.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.423 -174.48 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.415 HG23 ' HB3' ' A' ' 57' ' ' LEU . 65.9 mt -134.75 110.49 12.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 172.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.679 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 16.1 mt -112.18 117.24 54.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.723 0.773 . . . . 0.0 111.552 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -91.38 140.04 30.14 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.783 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 pt -145.08 160.9 13.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.699 0.285 . . . . 0.0 110.232 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 65' ' ' SER . . . -100.22 22.76 38.65 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.619 175.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 24' ' ' GLU . 13.0 t -118.35 140.35 42.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -178.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.56 ' HG3' ' HB2' ' A' ' 43' ' ' MET . 35.2 ttmt -94.62 -19.16 20.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.096 0.474 . . . . 0.0 110.834 -175.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' H ' HG12 ' A' ' 22' ' ' VAL . 40.3 mt-10 -117.07 111.3 19.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.043 177.429 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -139.84 144.9 37.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.01 0.433 . . . . 0.0 111.07 -177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.515 ' HG3' ' HA ' ' A' ' 40' ' ' PHE . 18.2 ttt -120.03 127.32 52.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 38' ' ' HIS . 7.5 p -77.09 87.41 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.473 -175.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.8 t 69.47 96.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 114.717 -1.128 . . . . 0.0 111.745 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.02 143.34 16.05 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.829 -0.908 . . . . 0.0 110.829 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.24 -173.7 2.46 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.886 0.343 . . . . 0.0 111.059 -176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.9 m -66.07 -40.02 90.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.506 -177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -88.71 160.93 43.21 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.484 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.49 -177.2 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.19 2.593 . . . . 0.0 113.379 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -69.66 100.98 1.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.059 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.675 ' H ' ' HD3' ' A' ' 37' ' ' PRO . 2.9 t70 -131.64 -64.12 0.8 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.062 170.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.619 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 27.1 t-80 -133.41 40.24 0.56 Allowed Pre-proline 0 CA--C 1.551 1.0 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 172.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.675 ' HD3' ' H ' ' A' ' 35' ' ' ASP . 9.7 Cg_endo -92.29 -95.77 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.742 1.628 . . . . 0.0 108.372 161.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.611 ' HE1' ' HB2' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -174.8 -167.1 0.27 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.133 159.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.7 tt -97.3 151.45 4.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 112.064 -167.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.515 ' HA ' ' HG3' ' A' ' 26' ' ' MET . 37.1 p90 -83.28 139.41 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.007 176.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.7 mt -123.1 114.36 41.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.31 0.576 . . . . 0.0 111.323 -176.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -94.39 129.13 41.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.347 173.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.56 ' HB2' ' HG3' ' A' ' 23' ' ' LYS . 66.2 mtt -77.19 -40.05 46.61 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.981 -0.287 . . . . 0.0 110.813 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.05 -111.7 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.003 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.6 m -111.23 73.82 0.84 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.05 0.452 . . . . 0.0 110.68 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 p -142.66 165.04 28.49 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.528 178.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -95.93 -41.61 8.71 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.47 0.652 . . . . 0.0 109.752 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -149.27 137.52 20.75 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.604 178.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -140.6 133.89 29.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.83 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.528 ' HB ' ' HG ' ' A' ' 57' ' ' LEU . 13.4 tt -108.4 156.84 8.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.1 0.476 . . . . 0.0 110.909 -175.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.621 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 43.8 t -94.37 110.2 47.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 172.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -48.29 -43.86 30.71 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 122.802 2.335 . . . . 0.0 111.661 -178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.611 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 64.7 m-85 -98.12 87.58 3.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.234 173.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.621 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 1.7 m 165.7 -52.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.188 0.995 . . . . 0.0 109.958 179.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.592 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 39.2 m 60.3 84.25 0.13 Allowed 'General case' 0 C--N 1.339 0.116 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 -168.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 m -167.11 60.41 0.08 Allowed 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 -168.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.528 ' HG ' ' HB ' ' A' ' 50' ' ' ILE . 1.3 tt -52.88 108.19 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.597 -170.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.679 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 35.0 m-85 -83.83 101.79 11.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.571 -177.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -93.64 125.31 38.18 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.05 -178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.558 ' HB2' ' SD ' ' A' ' 43' ' ' MET . 57.3 t80 -81.28 91.72 6.26 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 173.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -94.22 122.9 60.45 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.345 -170.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.61 -14.62 22.1 Favored 'Trans proline' 0 CA--C 1.529 0.257 0 C-N-CA 122.975 2.45 . . . . 0.0 113.487 -177.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.52 -14.15 38.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.981 0.419 . . . . 0.0 110.391 177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.9 mt -84.95 -164.38 0.98 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.656 172.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.437 ' O ' ' HA3' ' A' ' 21' ' ' GLY . 12.7 p -140.0 164.49 29.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.612 0.244 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' GLY . 97.3 m-85 -64.13 -24.34 67.65 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.993 -174.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -102.58 18.16 21.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.082 0.467 . . . . 0.0 110.233 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -124.96 142.54 51.41 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.162 -173.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.421 ' HB ' ' CZ ' ' A' ' 9' ' ' PHE . 9.1 t -108.9 -141.81 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.461 178.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -100.34 155.67 36.13 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.62 107.0 1.55 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.314 2.009 . . . . 0.0 112.128 -175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.427 HG21 ' OH ' ' A' ' 15' ' ' TYR . 22.8 m 177.98 -53.31 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.418 1.087 . . . . 0.0 108.734 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 119.52 44.48 0.47 Allowed Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.179 -174.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 9.9 m -92.62 120.19 32.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.792 -0.204 . . . . 0.0 110.558 -176.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.548 ' H ' ' HG2' ' A' ' 10' ' ' GLN . 3.3 pp -166.96 134.07 2.43 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.479 ' HB3' ' HD2' ' A' ' 8' ' ' HIS . 46.1 t80 -102.35 93.03 4.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -137.11 110.5 9.16 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.6 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -72.6 125.34 10.52 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.458 2.105 . . . . 0.0 111.608 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -111.82 23.4 13.87 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.222 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.3 mt -85.33 -72.19 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.781 -177.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 55.82 97.21 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.878 0.736 . . . . 0.0 112.376 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -74.85 -45.18 44.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.018 0.437 . . . . 0.0 109.977 177.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -102.37 150.72 23.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.445 178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -77.01 94.39 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.614 0.721 . . . . 0.0 110.362 178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -122.1 113.14 19.11 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.007 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.409 ' O ' ' HB3' ' A' ' 87' ' ' HIS . 63.8 m-70 -120.32 -86.86 0.65 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.066 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.409 ' HB3' ' O ' ' A' ' 86' ' ' HIS . 10.9 p80 . . . . . 0 C--O 1.245 0.832 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.484 1.25 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.676 ' HB1' HG22 ' A' ' 6' ' ' ILE . . . -96.29 98.08 10.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.864 0.364 . . . . 0.0 110.029 176.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -119.22 138.79 52.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.31 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 43.9 t80 70.82 -60.77 0.5 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 114.997 -1.001 . . . . 0.0 112.031 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -132.55 144.45 50.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.92 0.391 . . . . 0.0 110.5 -177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.676 HG22 ' HB1' ' A' ' 2' ' ' ALA . 35.5 pt -120.75 148.12 47.54 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.554 -179.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.58 136.44 58.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.803 2.335 . . . . 0.0 112.098 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.59 121.66 32.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.667 0.746 . . . . 0.0 111.831 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 75' ' ' LEU . 96.2 m-85 -102.38 -173.97 2.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.632 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.418 HE21 ' HA ' ' A' ' 74' ' ' CYS . 16.5 mt-30 -112.27 163.59 14.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.212 0.529 . . . . 0.0 111.009 -172.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -110.51 174.33 5.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.531 -172.095 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -54.3 10.54 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -174.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' H ' ' C ' ' A' ' 11' ' ' ASN . 93.6 mt -64.47 -22.54 66.99 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 118.3 0.5 . . . . 0.0 110.499 176.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -150.88 26.07 1.03 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.873 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.52 ' CD1' HD11 ' A' ' 18' ' ' ILE . 74.6 m-85 -143.48 164.71 29.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 56' ' ' THR . 21.2 tptm -136.85 -36.76 0.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 110.691 177.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 57' ' ' LEU . 75.7 mt -135.66 115.88 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.9 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 32.6 mm -122.78 126.96 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -176.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.49 ' HG2' ' HB2' ' A' ' 59' ' ' ARG . 40.3 mt-10 -91.36 146.25 23.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.411 175.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.16 163.97 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.757 0.313 . . . . 0.0 111.351 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.81 29.38 7.5 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.272 -178.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.6 t -125.41 132.64 70.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -73.31 -27.51 61.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 111.565 -176.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -119.98 105.61 11.22 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -116.39 153.12 32.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.092 0.472 . . . . 0.0 110.965 -173.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.543 ' SD ' ' HA ' ' A' ' 40' ' ' PHE . 11.1 tpt -147.17 145.09 29.4 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.444 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 38' ' ' HIS . 9.2 m -70.95 150.74 45.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 175.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.5 m -72.22 155.75 7.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.078 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -155.92 171.71 33.84 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.232 -178.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.17 28.5 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.822 0.344 . . . . 0.0 110.514 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m 66.18 78.06 0.27 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.882 -177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -143.01 159.1 57.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.54 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.68 115.98 2.69 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.322 2.015 . . . . 0.0 111.612 176.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -83.77 33.26 0.47 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -171.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -89.88 -16.85 29.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.745 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.75 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 4.9 m-70 -131.81 -59.24 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.389 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -177.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.75 ' HD2' ' H ' ' A' ' 36' ' ' HIS . 6.5 Cg_endo -48.38 -56.67 2.92 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.602 2.201 . . . . 0.0 112.919 -174.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 27' ' ' CYS . 90.1 m-70 -149.8 138.94 21.21 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.241 175.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.5 tp -101.31 152.95 5.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 O-C-N 123.427 0.454 . . . . 0.0 110.293 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.543 ' HA ' ' SD ' ' A' ' 26' ' ' MET . 6.7 p90 -76.16 145.87 39.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.606 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.0 mt -122.31 111.5 30.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.27 0.557 . . . . 0.0 111.75 -175.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -95.99 112.42 24.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.67 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.1 mmt -77.81 -65.15 1.0 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.007 0.432 . . . . 0.0 110.249 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.52 -107.89 1.71 Allowed Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.389 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 p -93.63 -9.19 38.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.83 0.347 . . . . 0.0 111.299 -179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.595 ' HB ' ' HE2' ' A' ' 49' ' ' LYS . 22.6 m -106.64 110.57 22.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 60' ' ' TYR . 49.7 m-20 -72.77 -41.46 65.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -169.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' HB2' HD21 ' A' ' 57' ' ' LEU . 16.8 pt-20 -111.14 125.7 54.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.087 0.47 . . . . 0.0 112.047 -173.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.595 ' HE2' ' HB ' ' A' ' 46' ' ' THR . 68.0 mttm -144.88 137.38 26.23 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.367 176.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 57' ' ' LEU . 13.7 tt -94.88 161.59 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.57 ' HB3' ' HB2' ' A' ' 54' ' ' CYS . 41.6 t -99.88 113.66 65.25 Favored Pre-proline 0 N--CA 1.461 0.12 0 C-N-CA 119.988 -0.685 . . . . 0.0 110.233 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_exo -52.46 -32.13 51.37 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.833 2.356 . . . . 0.0 111.815 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -111.93 80.1 1.29 Allowed 'General case' 0 C--O 1.247 0.962 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.348 175.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.57 ' HB2' ' HB3' ' A' ' 51' ' ' CYS . 2.3 m 158.15 -54.69 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 O-C-N 124.848 1.342 . . . . 0.0 110.13 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.548 ' O ' ' HB3' ' A' ' 51' ' ' CYS . 54.1 p 86.43 -151.55 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 -148.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 16' ' ' LYS . 10.4 m 85.27 71.77 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.018 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 167.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 50' ' ' ILE . 1.4 tt -59.91 104.37 0.29 Allowed 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.953 -179.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.9 ' HA ' ' O ' ' A' ' 18' ' ' ILE . 65.2 m-85 -83.87 110.91 18.75 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 123.788 0.68 . . . . 0.0 109.59 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.49 ' HB2' ' HG2' ' A' ' 19' ' ' GLU . 31.2 mtm180 -104.0 114.95 29.57 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.26 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.444 ' O ' ' HB3' ' A' ' 47' ' ' ASP . 83.0 t80 -86.16 93.45 9.03 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 172.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.544 ' HB3' ' HG ' ' A' ' 64' ' ' LEU . 11.7 t0 -82.89 125.02 76.27 Favored Pre-proline 0 C--N 1.317 -0.805 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -59.64 -12.91 19.29 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.929 2.419 . . . . 0.0 112.824 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.7 m -82.83 -12.99 57.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.91 0.386 . . . . 0.0 110.485 177.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 94.2 mt -87.37 -171.11 3.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.781 -179.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.608 ' HB3' HE21 ' A' ' 68' ' ' GLN . 47.9 t -158.61 174.23 15.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -175.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -63.69 -25.73 68.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.218 0.533 . . . . 0.0 110.671 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -93.82 2.67 56.15 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.524 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.608 HE21 ' HB3' ' A' ' 65' ' ' SER . 0.8 OUTLIER -123.49 142.67 50.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.145 0.497 . . . . 0.0 111.309 -176.582 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.0 t -132.52 -150.1 0.4 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.675 ' ND2' HG23 ' A' ' 18' ' ' ILE . 5.6 p30 -100.33 165.22 14.84 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -175.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.547 ' O ' HG23 ' A' ' 72' ' ' THR . 45.3 Cg_endo -90.99 106.69 0.29 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 122.827 2.352 . . . . 0.0 112.453 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 71' ' ' PRO . 1.7 p -169.29 -63.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 109.527 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 133.3 51.61 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.685 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.439 ' O ' ' HB2' ' A' ' 75' ' ' LEU . 77.6 m -78.29 -151.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.487 -0.357 . . . . 0.0 111.723 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 74' ' ' CYS . 2.7 mt 70.79 110.88 0.06 Allowed 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.988 0.805 . . . . 0.0 111.667 -175.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -85.75 108.69 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.102 0.477 . . . . 0.0 110.669 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -107.06 162.13 20.69 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.193 174.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -70.16 56.41 1.56 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.26 2.64 . . . . 0.0 113.488 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 mptt 71.52 -68.62 0.21 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.349 0.66 . . . . 0.0 111.715 177.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.3 mt -114.6 110.07 19.22 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.644 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.8 -9.68 57.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.208 0.528 . . . . 0.0 110.515 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -144.21 139.21 28.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.02 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -125.4 174.11 8.4 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -86.47 125.48 33.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -88.19 -15.57 35.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.137 0.494 . . . . 0.0 110.379 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -134.65 143.83 47.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.573 174.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.233 177.443 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_