data_6g4i_residue ############################ # Computer software used # ############################ 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 6g4i _Structure_validation_residue.Date_analyzed 2019-10-04 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.27 -8.53 22.9 Favored 'Trans proline' 0 C--N 1.351 0.702 1 CA-C-N 129.284 4.351 . . . . 0.0 112.976 -168.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.67 -41.02 88.77 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 125.772 1.629 . . . . 0.0 110.943 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.65 -43.67 96.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.397 -1.439 . . . . 0.0 111.038 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.8 92.4 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -65.35 -42.62 92.63 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.285 -1.51 . . . . 0.0 113.42 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.82 -46.19 89.12 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.057 -1.027 . . . . 0.0 112.906 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.46 96.91 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 119.851 -1.78 . . . . 0.0 113.109 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.85 -13.9 60.62 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.335 -1.478 . . . . 0.0 114.563 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -18.28 7.08 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.957 -1.714 . . . . 0.0 113.341 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -120.56 -8.57 9.53 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 119.99 -1.694 . . . . 0.0 112.799 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.29 -54.71 11.95 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 173.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.74 -18.86 24.7 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 CA-C-N 122.082 2.941 . . . . 0.0 111.917 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -69.58 -42.62 74.23 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 119.336 0.971 . . . . 0.0 111.516 169.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.89 -47.05 86.3 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 126.123 1.769 . . . . 0.0 113.828 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -61.36 -42.52 98.84 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.075 -1.016 . . . . 0.0 112.579 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 m -66.3 -37.74 86.11 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 171.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.04 -42.52 99.26 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 120.956 -1.09 . . . . 0.0 113.322 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.77 -43.76 92.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.29 1.036 . . . . 0.0 111.445 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -80.79 50.59 1.37 Allowed 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.367 -1.458 . . . . 0.0 111.578 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? 56.62 38.18 29.39 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 128.06 2.544 . . . . 0.0 114.253 170.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.82 69.81 0.71 Allowed 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.757 -1.215 . . . . 0.0 113.689 -170.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.24 0.576 0 O-C-N 120.088 -1.632 . . . . 0.0 114.326 176.895 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.56 -9.43 25.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 CA-C-N 124.42 2.614 . . . . 0.0 111.474 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.423 HD11 ' H ' ' A' ' 4' ' ' ILE . 3.7 mp -59.12 -41.54 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 126.055 1.742 . . . . 0.0 111.159 171.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.0 -46.86 87.37 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.236 -0.915 . . . . 0.0 112.966 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.33 99.1 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.369 1.081 . . . . 0.0 112.676 173.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t -61.17 -44.05 97.91 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.822 -1.174 . . . . 0.0 113.322 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.7 -45.74 77.84 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.296 1.039 . . . . 0.0 113.373 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.24 93.87 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.83 -1.169 . . . . 0.0 113.293 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.81 -33.49 71.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -99.22 -6.98 27.15 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.127 -1.608 . . . . 0.0 112.879 -174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -143.68 -2.49 0.95 Allowed 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -172.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.86 -57.07 8.03 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 118.211 2.044 . . . . 0.0 118.211 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -75.73 -24.11 12.01 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 CA-C-N 122.124 2.962 . . . . 0.0 110.681 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -65.86 -38.79 89.76 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.741 0.817 . . . . 0.0 111.723 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.87 -44.35 97.18 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 125.234 1.414 . . . . 0.0 112.338 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.92 -43.71 94.73 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 122.241 1.019 . . . . 0.0 111.83 173.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.6 m -61.55 -44.41 97.09 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.454 -1.404 . . . . 0.0 113.949 170.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.64 -42.18 96.44 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.144 -1.597 . . . . 0.0 114.06 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.36 -39.49 79.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 122.461 1.124 . . . . 0.0 111.031 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -85.73 28.38 0.78 Allowed 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.592 -1.318 . . . . 0.0 111.519 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt 63.15 32.63 15.0 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 119.275 -2.141 . . . . 0.0 114.957 172.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 89.16 11.38 0.08 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 131.334 3.854 . . . . 0.0 112.034 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.259 32.1 p . . . . . 0 C--N 1.352 0.702 0 C-N-CA 126.864 2.065 . . . . 0.0 116.167 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.72 -5.22 15.65 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.87 3.046 . . . . 0.0 113.042 -170.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.1 mm -58.63 -40.54 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 125.529 1.532 . . . . 0.0 110.835 167.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.7 tp -62.39 -43.3 99.14 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 121.096 -1.003 . . . . 0.0 112.856 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.38 99.31 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.011 -1.056 . . . . 0.0 112.892 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.0 t -62.35 -44.29 96.83 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.699 -1.251 . . . . 0.0 113.17 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.29 -45.09 94.81 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.405 -1.434 . . . . 0.0 112.941 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.68 -46.28 90.39 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 119.751 -1.843 . . . . 0.0 113.084 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.23 94.9 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -110.32 -10.52 14.6 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.269 -1.519 . . . . 0.0 113.351 -172.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -122.27 -7.82 8.73 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 119.844 -1.785 . . . . 0.0 112.222 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.67 -56.9 9.04 Favored Glycine 0 C--N 1.352 1.424 0 N-CA-C 118.023 1.969 . . . . 0.0 118.023 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -69.18 -29.41 26.7 Favored 'Trans proline' 0 CA--C 1.517 -0.329 0 CA-C-N 122.098 2.949 . . . . 0.0 111.437 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -64.81 -39.7 94.01 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 121.741 -0.599 . . . . 0.0 112.137 174.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.02 -43.3 99.08 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 126.274 1.83 . . . . 0.0 112.406 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.25 -44.21 92.39 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.921 -1.112 . . . . 0.0 111.791 173.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.06 -39.33 94.4 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 172.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.1 -44.66 88.11 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.79 -1.194 . . . . 0.0 114.158 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.52 -42.93 97.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.778 -1.201 . . . . 0.0 111.578 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -61.35 -46.1 91.65 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.889 -1.132 . . . . 0.0 111.631 171.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 93.87 88.92 0.01 OUTLIER 'General case' 0 C--N 1.349 0.56 0 C-N-CA 130.42 3.488 . . . . 0.0 109.663 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt 62.3 51.32 3.47 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.933 1.293 . . . . 0.0 114.001 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.353 0.719 0 N-CA-C 115.535 1.679 . . . . 0.0 115.535 -176.779 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.01 -2.67 10.05 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 124.315 3.343 . . . . 0.0 113.168 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.05 -40.98 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 126.103 1.761 . . . . 0.0 111.16 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.1 mt -62.35 -44.48 96.38 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.934 -1.104 . . . . 0.0 113.462 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.63 99.59 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 121.014 -1.054 . . . . 0.0 112.588 173.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 t -60.97 -44.77 96.85 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.886 -1.133 . . . . 0.0 112.841 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.83 -46.38 82.19 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.623 -1.298 . . . . 0.0 113.151 171.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.22 95.32 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.526 -1.359 . . . . 0.0 113.75 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.36 98.58 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -104.39 -2.91 24.78 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.291 -1.506 . . . . 0.0 113.224 -171.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -140.48 -3.29 1.34 Allowed 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.897 -1.127 . . . . 0.0 113.865 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.59 -56.12 10.06 Favored Glycine 0 C--N 1.35 1.326 0 N-CA-C 118.215 2.046 . . . . 0.0 118.215 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -69.85 -27.74 25.67 Favored 'Trans proline' 0 CA--C 1.518 -0.302 0 CA-C-N 122.146 2.973 . . . . 0.0 111.679 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -65.93 -42.26 90.29 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 121.671 -0.643 . . . . 0.0 111.478 173.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.8 -42.32 98.86 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 125.543 1.537 . . . . 0.0 112.887 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.08 -44.35 91.89 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 122.007 0.908 . . . . 0.0 111.87 172.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.9 m -62.66 -36.1 81.77 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 171.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.6 mt -59.77 -33.74 72.07 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.529 -1.357 . . . . 0.0 114.226 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.18 -39.15 57.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 C-N-CA 124.783 1.233 . . . . 0.0 112.348 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -90.82 13.88 15.15 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.406 -1.434 . . . . 0.0 111.162 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt 63.43 45.51 4.8 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.912 1.685 . . . . 0.0 111.933 -175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.319 0.0 OUTLIER 77.94 111.1 0.07 Allowed 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.859 2.064 . . . . 0.0 110.216 -171.481 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 C--N 1.347 0.489 0 O-C-N 120.308 -1.495 . . . . 0.0 112.632 -178.713 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -70.66 -5.99 18.03 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.63 2.887 . . . . 0.0 112.403 -171.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.0 mm -58.35 -41.77 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 125.801 1.64 . . . . 0.0 110.828 168.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.45 -43.85 96.21 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.727 1.211 . . . . 0.0 112.271 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.16 99.23 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.967 -1.083 . . . . 0.0 112.713 173.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t -61.81 -42.99 99.71 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.706 -1.246 . . . . 0.0 113.377 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.3 -43.17 98.6 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.566 1.147 . . . . 0.0 113.069 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.27 97.87 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 121.014 -1.054 . . . . 0.0 113.638 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.64 98.43 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.516 -1.365 . . . . 0.0 113.816 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -68.26 -46.67 69.8 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.045 -1.66 . . . . 0.0 113.856 176.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -117.86 -9.25 10.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -163.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.41 -59.52 7.68 Favored Glycine 0 C--N 1.348 1.25 0 N-CA-C 118.383 2.113 . . . . 0.0 118.383 -173.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -80.41 -17.18 10.32 Favored 'Trans proline' 0 CA--C 1.515 -0.459 0 CA-C-N 121.627 2.714 . . . . 0.0 109.888 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -67.62 -41.79 83.36 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.117 0.967 . . . . 0.0 110.415 174.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.14 -41.32 92.48 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.453 2.301 . . . . 0.0 112.714 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -58.32 -44.88 88.83 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-O 122.176 0.989 . . . . 0.0 111.713 174.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 m -66.19 -38.56 88.32 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.12 -43.59 98.65 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.493 -1.38 . . . . 0.0 113.535 174.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.55 -40.72 85.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 124.807 1.243 . . . . 0.0 111.074 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -82.19 44.29 0.85 Allowed 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.551 -1.343 . . . . 0.0 111.379 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 59.74 39.02 21.38 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.464 2.306 . . . . 0.0 114.947 172.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt 60.66 56.37 3.04 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.162 1.385 . . . . 0.0 113.475 -175.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.35 0.609 0 O-C-N 120.284 -1.51 . . . . 0.0 114.193 178.595 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.19 -7.02 20.48 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.067 2.511 . . . . 0.0 111.952 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.4 mp -58.39 -42.95 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 126.129 1.772 . . . . 0.0 111.136 173.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.39 -45.55 92.63 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.06 -1.025 . . . . 0.0 112.581 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.5 99.54 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.878 -1.139 . . . . 0.0 112.793 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -60.87 -44.87 96.46 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.822 -1.174 . . . . 0.0 112.933 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.25 -45.22 85.48 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 121.163 -0.961 . . . . 0.0 113.007 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.39 97.07 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.03 99.75 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.567 -1.333 . . . . 0.0 114.093 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -77.06 -45.66 26.32 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 119.954 -1.716 . . . . 0.0 114.101 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -116.68 -12.83 10.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -164.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.76 -56.85 18.38 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 120.442 -1.411 . . . . 0.0 116.056 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -69.54 -3.62 12.23 Favored 'Trans proline' 0 C--N 1.331 -0.388 0 CA-C-N 121.171 2.486 . . . . 0.0 113.218 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -100.93 -9.3 21.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 119.362 0.983 . . . . 0.0 110.107 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.13 -42.06 98.87 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 125.554 1.542 . . . . 0.0 112.351 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -58.95 -41.02 86.43 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.27 1.428 . . . . 0.0 112.026 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.1 m -65.94 -40.62 91.52 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 171.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.17 -45.51 91.46 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.335 -1.478 . . . . 0.0 113.248 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.95 -37.42 77.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 C-N-CA 125.274 1.43 . . . . 0.0 112.657 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -93.22 6.34 48.39 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 120.368 -1.457 . . . . 0.0 112.918 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.7 tttt 59.4 50.55 7.52 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.892 1.277 . . . . 0.0 112.572 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 83.36 112.31 0.06 Allowed 'General case' 0 C--N 1.351 0.661 0 C-N-CA 128.603 2.761 . . . . 0.0 111.125 -171.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.349 0.565 0 O-C-N 120.569 -1.332 . . . . 0.0 112.249 -179.306 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.51 -5.9 17.74 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.594 2.863 . . . . 0.0 112.083 -176.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -58.38 -41.63 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 126.113 1.765 . . . . 0.0 110.445 167.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.42 -44.76 95.65 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.397 1.079 . . . . 0.0 112.785 177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.71 99.77 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-O 122.248 1.023 . . . . 0.0 112.676 173.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -62.31 -44.09 97.33 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.376 -1.453 . . . . 0.0 113.148 174.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.39 -44.42 96.49 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 124.464 1.105 . . . . 0.0 112.808 173.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.27 87.94 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.66 1.184 . . . . 0.0 113.024 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.42 89.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.614 -1.304 . . . . 0.0 114.443 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -75.44 -44.64 43.24 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.59 -1.944 . . . . 0.0 112.675 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.44 -15.66 14.75 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -160.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.97 -56.81 19.04 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 119.905 -1.747 . . . . 0.0 114.237 169.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.18 52.78 4.42 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.74 2.293 . . . . 0.0 110.835 167.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -145.09 -57.86 0.34 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 128.688 2.795 . . . . 0.0 104.541 166.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -52.28 -41.9 63.27 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 128.483 2.713 . . . . 0.0 114.234 -173.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -56.15 -40.84 74.48 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 122.12 0.962 . . . . 0.0 112.585 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.9 m -78.94 -17.78 54.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 120.221 -1.549 . . . . 0.0 113.755 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.37 -19.33 50.45 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 120.632 -1.293 . . . . 0.0 112.534 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.75 -39.61 77.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.662 1.185 . . . . 0.0 111.184 171.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 15.57 8.41 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.462 -1.399 . . . . 0.0 111.471 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.13 41.43 6.27 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 125.954 1.702 . . . . 0.0 111.977 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp 82.71 93.39 0.04 OUTLIER 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.33 2.652 . . . . 0.0 111.381 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.348 0.53 0 O-C-N 120.597 -1.314 . . . . 0.0 113.206 170.258 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -66.36 -3.77 9.45 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.127 1.885 . . . . 0.0 113.072 166.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm -60.07 -45.84 95.1 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 C-N-CA 125.013 1.325 . . . . 0.0 111.694 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.16 -42.52 99.34 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.823 -1.173 . . . . 0.0 113.718 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.28 98.61 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.893 -1.129 . . . . 0.0 112.832 173.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -61.53 -45.08 95.71 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.641 -1.287 . . . . 0.0 112.756 174.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.48 -43.53 98.58 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.611 -1.306 . . . . 0.0 113.035 173.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.57 97.11 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 121.124 -0.985 . . . . 0.0 113.559 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.87 94.85 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.635 -1.291 . . . . 0.0 113.977 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -68.41 -44.69 74.49 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.919 -1.738 . . . . 0.0 114.269 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -118.9 -9.8 10.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -164.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.33 -58.7 6.32 Favored Glycine 0 N--CA 1.475 1.284 0 N-CA-C 118.998 2.359 . . . . 0.0 118.998 -170.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -78.4 -20.34 11.08 Favored 'Trans proline' 0 CA--C 1.515 -0.425 0 CA-C-N 121.934 2.867 . . . . 0.0 110.376 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -69.46 -42.17 75.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.964 0.905 . . . . 0.0 110.858 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.5 -43.18 99.32 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 127.047 2.139 . . . . 0.0 112.012 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -58.41 -44.06 88.88 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.995 0.918 . . . . 0.0 112.036 173.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 m -62.81 -33.69 75.75 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -70.0 -20.43 63.29 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.536 -1.352 . . . . 0.0 114.147 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.09 -39.17 71.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.299 1.04 . . . . 0.0 111.738 173.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -89.75 18.66 5.35 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.399 -1.438 . . . . 0.0 111.342 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt 65.67 39.77 4.72 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 126.537 1.935 . . . . 0.0 112.428 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 81.7 98.85 0.05 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 127.022 2.129 . . . . 0.0 109.875 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.347 0.482 0 O-C-N 120.632 -1.293 . . . . 0.0 114.146 178.3 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -67.3 -5.02 12.84 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 O-C-N 117.209 -2.048 . . . . 0.0 112.766 168.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.76 -49.94 82.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 125.114 1.366 . . . . 0.0 111.484 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.7 -40.68 95.77 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.04 -1.037 . . . . 0.0 113.096 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.09 96.05 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.99 -1.069 . . . . 0.0 112.846 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.3 t -63.66 -44.18 94.55 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.31 -1.494 . . . . 0.0 113.341 172.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.78 -44.99 95.8 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.675 -1.266 . . . . 0.0 112.992 174.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -45.21 95.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 120.585 -1.322 . . . . 0.0 113.093 175.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.28 99.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -96.7 -7.99 32.6 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 119.892 -1.755 . . . . 0.0 112.943 -175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -139.81 -4.09 1.41 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.97 -56.11 9.25 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 118.291 2.076 . . . . 0.0 118.291 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -71.31 -26.81 20.3 Favored 'Trans proline' 0 CA--C 1.517 -0.35 0 CA-C-N 122.227 3.014 . . . . 0.0 111.644 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -66.21 -43.21 87.36 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 121.7 -0.625 . . . . 0.0 111.303 173.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.28 -44.37 97.35 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.901 1.68 . . . . 0.0 111.99 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.02 -44.59 91.73 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 124.142 0.977 . . . . 0.0 112.11 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.6 m -63.1 -34.09 76.86 Favored 'General case' 0 C--N 1.346 0.44 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 171.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.5 -20.66 63.71 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.666 -1.271 . . . . 0.0 114.097 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.19 -39.13 72.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 C-N-CA 124.238 1.015 . . . . 0.0 111.66 172.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -90.81 16.36 9.48 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.443 -1.411 . . . . 0.0 111.212 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt 64.96 40.67 5.13 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 126.37 1.868 . . . . 0.0 112.565 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 83.2 99.57 0.05 OUTLIER 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.187 2.195 . . . . 0.0 109.674 -176.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 C--N 1.347 0.49 0 O-C-N 120.652 -1.28 . . . . 0.0 114.152 178.417 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.64 -5.2 14.75 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.774 2.983 . . . . 0.0 112.612 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.0 -41.48 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 126.306 1.842 . . . . 0.0 110.617 166.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.29 -45.58 92.62 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 124.394 1.077 . . . . 0.0 113.058 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.89 98.87 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.028 -1.045 . . . . 0.0 112.487 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 t -61.63 -43.5 98.74 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.767 -1.208 . . . . 0.0 113.353 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.5 -42.67 98.5 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.798 -1.189 . . . . 0.0 113.181 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.2 97.51 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 121.049 -1.032 . . . . 0.0 113.321 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.05 99.76 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.639 -1.288 . . . . 0.0 113.723 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -65.88 -43.92 86.86 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.084 -1.635 . . . . 0.0 114.371 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -121.18 -9.65 9.1 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -165.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.3 -59.44 5.21 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 119.745 2.658 . . . . 0.0 119.745 -168.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -79.61 -22.45 7.87 Favored 'Trans proline' 0 CA--C 1.516 -0.413 0 CA-C-N 122.378 3.089 . . . . 0.0 109.991 -177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -68.28 -40.33 81.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.952 1.301 . . . . 0.0 110.647 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -61.38 -43.68 98.46 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 126.672 1.989 . . . . 0.0 112.325 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -59.41 -43.62 93.0 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.933 -1.104 . . . . 0.0 111.808 173.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.9 m -63.06 -39.6 95.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 120.243 -1.536 . . . . 0.0 115.07 170.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.28 -42.73 99.6 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.17 1.35 . . . . 0.0 113.657 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.64 -39.32 79.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.821 1.249 . . . . 0.0 111.01 171.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -81.33 38.79 0.5 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.582 -1.324 . . . . 0.0 111.559 174.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? 56.05 38.82 30.32 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 128.416 2.686 . . . . 0.0 114.448 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.71 74.08 0.44 Allowed 'General case' 0 C--N 1.347 0.477 0 C-N-CA 124.798 1.239 . . . . 0.0 112.316 -171.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.8 p . . . . . 0 C--O 1.24 0.558 0 CA-C-O 123.162 1.458 . . . . 0.0 114.293 176.608 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.69 -6.4 18.97 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.321 2.681 . . . . 0.0 111.426 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.28 -42.4 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 126.921 2.088 . . . . 0.0 110.735 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.55 -45.34 93.4 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.125 -0.985 . . . . 0.0 113.101 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.34 99.69 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.377 1.084 . . . . 0.0 112.426 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -62.15 -44.69 96.07 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.349 -1.47 . . . . 0.0 113.283 174.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.87 -43.29 99.2 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.796 1.238 . . . . 0.0 112.997 173.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.77 90.6 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.318 1.047 . . . . 0.0 112.674 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.86 91.16 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.344 -1.472 . . . . 0.0 114.489 171.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -73.43 -45.09 56.48 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.441 -2.037 . . . . 0.0 113.518 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -112.69 -12.57 13.37 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -164.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.68 -56.28 9.95 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 117.377 1.711 . . . . 0.0 117.377 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -72.25 -5.68 17.61 Favored 'Trans proline' 0 C--N 1.332 -0.323 0 CA-C-N 122.039 2.919 . . . . 0.0 112.788 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -101.39 -12.12 18.85 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 119.193 0.906 . . . . 0.0 110.313 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.22 -39.4 90.13 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.565 1.946 . . . . 0.0 112.197 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -56.48 -37.23 70.06 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.67 1.588 . . . . 0.0 112.54 174.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.2 m -92.41 -11.59 34.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.75 -1.218 . . . . 0.0 112.945 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.94 -41.14 71.53 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.371 -1.456 . . . . 0.0 110.956 161.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.99 -54.08 30.91 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 120.496 -1.377 . . . . 0.0 111.341 169.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -102.08 68.48 1.11 Allowed 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 124.474 1.109 . . . . 0.0 109.461 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 16.15 72.02 0.01 OUTLIER 'General case' 0 C--N 1.352 0.679 0 C-N-CA 130.564 3.546 . . . . 0.0 118.264 166.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? 59.71 50.98 6.58 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.346 0.427 0 O-C-N 120.727 -1.233 . . . . 0.0 113.579 171.811 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -67.86 -1.94 7.76 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 124.564 3.509 . . . . 0.0 113.187 -174.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.8 mt -55.92 -41.01 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 126.524 1.93 . . . . 0.0 110.588 168.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.93 -43.48 98.75 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 121.06 -1.025 . . . . 0.0 113.727 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.16 98.77 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.778 -1.201 . . . . 0.0 112.474 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t -61.68 -43.97 97.85 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.6 -1.313 . . . . 0.0 113.166 173.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.19 -40.49 97.67 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.896 1.278 . . . . 0.0 113.077 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.93 95.89 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.679 -1.263 . . . . 0.0 113.412 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.73 87.49 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.118 -1.614 . . . . 0.0 113.815 172.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -64.63 -46.56 82.07 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.288 -1.507 . . . . 0.0 113.832 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -126.71 -26.69 3.19 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 120.845 -1.159 . . . . 0.0 113.422 -166.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.77 -57.77 5.83 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 119.206 2.443 . . . . 0.0 119.206 -170.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -75.67 -6.23 17.36 Favored 'Trans proline' 0 CA--C 1.517 -0.361 0 CA-C-N 123.157 3.479 . . . . 0.0 111.901 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -102.22 -15.97 16.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.33 1.052 . . . . 0.0 109.182 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.01 -39.45 92.28 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.796 2.438 . . . . 0.0 112.465 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -57.91 -41.67 83.12 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.45 1.1 . . . . 0.0 112.339 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 m -75.77 -25.09 56.14 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.483 -1.386 . . . . 0.0 114.247 173.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.19 -42.0 96.86 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 120.097 1.317 . . . . 0.0 112.399 169.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.98 -42.96 91.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 C-N-CA 124.755 1.222 . . . . 0.0 111.554 172.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -81.11 40.89 0.56 Allowed 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.272 -1.518 . . . . 0.0 111.953 174.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt 56.91 45.76 20.81 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 127.789 2.436 . . . . 0.0 115.619 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt 62.0 55.61 2.5 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 125.546 1.539 . . . . 0.0 113.607 -176.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 C--N 1.349 0.586 0 O-C-N 120.391 -1.443 . . . . 0.0 113.633 177.103 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -71.51 -6.3 18.87 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.507 2.805 . . . . 0.0 111.851 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.68 -41.76 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 125.842 1.657 . . . . 0.0 110.505 168.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.31 -43.3 98.22 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.088 -1.008 . . . . 0.0 112.954 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.0 98.4 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.226 1.01 . . . . 0.0 112.428 172.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -61.87 -44.59 96.52 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.517 -1.364 . . . . 0.0 113.262 173.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.09 -45.39 92.3 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.612 -1.305 . . . . 0.0 112.672 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.35 -43.91 98.08 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.375 1.07 . . . . 0.0 113.671 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.33 99.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 120.505 -1.372 . . . . 0.0 114.272 176.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -43.66 21.27 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.555 -1.341 . . . . 0.0 113.305 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -105.78 -14.32 15.27 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.539 -1.351 . . . . 0.0 113.145 -169.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.69 -53.07 14.01 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 125.591 1.567 . . . . 0.0 116.956 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -69.28 -3.94 12.7 Favored 'Trans proline' 0 C--O 1.235 0.372 0 CA-C-N 122.408 3.104 . . . . 0.0 113.01 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -111.47 -3.61 15.13 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.846 -1.159 . . . . 0.0 111.962 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.47 -44.3 91.49 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.446 -1.409 . . . . 0.0 112.378 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.59 -39.65 84.86 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.296 1.038 . . . . 0.0 111.802 172.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.99 -42.9 97.05 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.727 -1.233 . . . . 0.0 113.487 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.67 -43.71 97.33 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.738 -1.226 . . . . 0.0 113.058 177.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.03 -45.01 99.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-O 122.143 0.973 . . . . 0.0 111.833 171.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m -89.01 46.48 1.39 Allowed 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.08 -1.638 . . . . 0.0 111.879 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.2 tttt 59.92 33.73 21.55 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 168.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 84.03 2.53 0.88 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 129.302 3.041 . . . . 0.0 112.968 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.263 20.0 p . . . . . 0 C--N 1.352 0.702 0 C-N-CA 127.521 2.329 . . . . 0.0 116.792 -171.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -71.65 -5.16 16.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.601 2.867 . . . . 0.0 112.307 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.25 -41.3 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 127.347 2.259 . . . . 0.0 111.509 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.02 -43.89 97.47 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.344 -1.473 . . . . 0.0 111.993 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.33 94.26 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.986 -1.071 . . . . 0.0 113.698 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.4 p -65.84 -45.22 83.0 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.299 -1.5 . . . . 0.0 113.524 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.67 -46.12 80.32 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 174.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.2 93.93 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.825 -1.797 . . . . 0.0 113.122 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.13 92.52 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -103.51 -13.03 16.75 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.037 -1.665 . . . . 0.0 112.465 -171.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -124.85 -3.06 7.73 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 119.89 -1.756 . . . . 0.0 112.885 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.51 -55.1 11.37 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 117.679 1.832 . . . . 0.0 117.679 173.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.72 -28.39 37.14 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 CA-C-N 121.917 2.858 . . . . 0.0 112.049 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -65.34 -41.64 93.73 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 118.84 0.745 . . . . 0.0 111.971 173.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.11 -42.97 99.5 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.866 1.667 . . . . 0.0 112.271 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.39 -45.28 88.65 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.145 -0.972 . . . . 0.0 111.923 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.8 m -63.23 -37.9 89.06 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 171.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.59 -40.16 93.78 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.41 -1.431 . . . . 0.0 113.239 174.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.3 t -58.96 -36.81 63.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 C-N-CA 124.574 1.15 . . . . 0.0 112.055 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -17.69 61.89 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.9 -1.75 . . . . 0.0 113.35 174.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? 72.35 45.01 0.38 Allowed 'General case' 0 C--N 1.353 0.73 0 C-N-CA 126.876 2.07 . . . . 0.0 111.316 -167.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 86.68 101.94 0.04 OUTLIER 'General case' 0 C--N 1.351 0.64 0 C-N-CA 128.299 2.64 . . . . 0.0 109.583 -175.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.347 0.496 0 O-C-N 120.728 -1.232 . . . . 0.0 113.418 179.832 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.41 -5.08 16.26 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.482 2.788 . . . . 0.0 111.819 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.9 mm -58.04 -42.43 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 126.825 2.05 . . . . 0.0 111.625 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.8 -46.32 90.03 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 121.109 -0.994 . . . . 0.0 112.509 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.21 98.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.912 -1.118 . . . . 0.0 112.654 174.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.3 t -60.83 -44.32 97.1 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.936 -1.103 . . . . 0.0 113.053 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.85 -44.81 80.05 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.234 1.013 . . . . 0.0 113.319 171.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.4 97.18 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.51 1.124 . . . . 0.0 114.006 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.97 98.24 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.43 -1.419 . . . . 0.0 113.746 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -72.65 -48.56 38.33 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.139 -1.6 . . . . 0.0 113.442 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -113.05 -18.19 12.24 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -164.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.79 -55.91 20.97 Favored Glycine 0 C--N 1.348 1.218 0 O-C-N 120.501 -1.374 . . . . 0.0 115.86 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -69.35 -3.26 11.38 Favored 'Trans proline' 0 C--N 1.331 -0.394 0 CA-C-N 121.218 2.509 . . . . 0.0 113.522 173.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -100.86 -13.01 18.55 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.959 1.254 . . . . 0.0 110.389 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.89 -42.82 99.52 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.857 1.663 . . . . 0.0 112.426 -171.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -58.98 -41.6 87.97 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.958 1.303 . . . . 0.0 112.161 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.3 m -66.66 -39.23 88.11 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.31 -45.39 88.12 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.976 -1.077 . . . . 0.0 113.31 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.22 -36.23 71.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 C-N-CA 125.434 1.494 . . . . 0.0 112.09 176.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 p -90.18 12.79 16.91 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 120.496 -1.377 . . . . 0.0 112.256 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.254 1.9 tmtm? 73.96 24.14 2.09 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.792 1.237 . . . . 0.0 112.869 163.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 96.5 92.9 0.01 OUTLIER 'General case' 0 C--N 1.352 0.695 0 C-N-CA 130.958 3.703 . . . . 0.0 109.848 -177.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--N 1.35 0.623 0 CA-C-O 122.714 1.245 . . . . 0.0 114.219 177.297 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -64.25 -1.02 3.27 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.997 2.465 . . . . 0.0 114.485 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.7 -39.33 76.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 C-N-CA 125.997 1.719 . . . . 0.0 111.242 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.32 -44.38 95.52 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.085 -1.635 . . . . 0.0 112.995 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.0 94.06 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.969 -1.082 . . . . 0.0 113.661 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.3 p -65.34 -43.43 90.95 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.418 -1.426 . . . . 0.0 113.379 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.86 -49.58 67.61 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.914 -1.116 . . . . 0.0 113.325 172.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.02 90.93 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.587 -1.945 . . . . 0.0 113.736 -177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.44 15.24 12.68 Favored 'General case' 0 N--CA 1.446 -0.634 0 O-C-N 120.271 -1.518 . . . . 0.0 112.836 -172.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.6 -27.55 1.03 Allowed 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.697 -1.252 . . . . 0.0 111.795 168.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -118.27 -5.96 10.85 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.437 -1.415 . . . . 0.0 113.336 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.52 -55.58 9.16 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 118.054 1.982 . . . . 0.0 118.054 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -74.44 -22.19 16.4 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 CA-C-N 121.951 2.875 . . . . 0.0 111.323 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -67.68 -43.49 80.04 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 118.725 0.693 . . . . 0.0 111.009 172.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.22 -44.18 97.69 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.177 1.791 . . . . 0.0 112.046 175.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.58 -44.44 89.8 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.156 0.982 . . . . 0.0 112.17 173.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.8 m -63.55 -33.27 75.21 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 171.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.0 mt -70.01 -20.57 63.27 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.662 -1.274 . . . . 0.0 114.102 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.15 -39.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 124.254 1.022 . . . . 0.0 111.686 173.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.26 16.87 7.85 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.405 -1.434 . . . . 0.0 111.337 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt 65.1 40.78 4.88 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 126.332 1.853 . . . . 0.0 112.441 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 82.93 99.57 0.05 OUTLIER 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.099 2.16 . . . . 0.0 109.72 -176.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 C--N 1.347 0.457 0 O-C-N 120.693 -1.254 . . . . 0.0 114.208 178.604 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.72 -5.91 17.32 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 123.326 2.684 . . . . 0.0 112.458 -174.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.7 mt -59.52 -40.98 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 126.928 2.091 . . . . 0.0 111.01 168.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.08 -45.89 90.01 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.514 -1.366 . . . . 0.0 111.506 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.3 91.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.083 0.953 . . . . 0.0 113.381 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 p -64.1 -42.62 96.82 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.361 -1.462 . . . . 0.0 113.591 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.89 -42.78 89.84 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 126.05 1.74 . . . . 0.0 113.951 170.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.09 85.38 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.074 -1.641 . . . . 0.0 111.762 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.8 23.99 0.31 Allowed 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.871 -1.143 . . . . 0.0 114.062 172.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -130.08 -34.35 1.68 Allowed 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.036 -1.665 . . . . 0.0 109.871 161.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -111.61 -4.5 14.73 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.5 -56.98 6.85 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 118.397 2.119 . . . . 0.0 118.397 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -78.23 -21.63 10.37 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 CA-C-N 122.099 2.949 . . . . 0.0 110.715 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -66.92 -38.94 87.13 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.478 0.711 . . . . 0.0 111.444 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.31 -43.19 96.56 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.119 1.768 . . . . 0.0 112.296 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -59.09 -44.55 91.94 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.957 -1.089 . . . . 0.0 111.632 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.43 -36.75 85.17 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 172.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.15 -43.06 99.36 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.44 1.473 . . . . 0.0 113.334 170.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.62 -35.15 57.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 120.529 -1.357 . . . . 0.0 111.702 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 m -91.44 2.01 56.72 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 125.518 1.527 . . . . 0.0 111.341 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.251 6.2 mptt 62.35 52.7 2.99 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.85 1.66 . . . . 0.0 115.097 177.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt 85.58 58.45 0.01 OUTLIER 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.282 1.833 . . . . 0.0 112.419 172.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.7 p . . . . . 0 C--N 1.351 0.67 0 O-C-N 120.228 -1.545 . . . . 0.0 112.622 171.465 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.62 -7.19 20.75 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.02 2.48 . . . . 0.0 111.841 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.426 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp -58.21 -41.53 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 126.16 1.784 . . . . 0.0 111.113 172.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.07 -46.05 90.82 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.097 -1.002 . . . . 0.0 113.204 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.83 97.88 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.229 1.014 . . . . 0.0 112.616 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.7 t -61.41 -44.23 97.5 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.899 -1.126 . . . . 0.0 113.117 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.91 -47.3 78.27 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.225 -0.922 . . . . 0.0 112.89 171.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.36 93.64 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.996 -1.065 . . . . 0.0 113.544 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.64 -35.65 74.82 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.97 -1.081 . . . . 0.0 113.797 175.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -101.09 8.19 42.94 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.401 -1.437 . . . . 0.0 112.901 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -138.47 -16.02 1.21 Allowed 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.605 -1.309 . . . . 0.0 114.074 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.55 -57.61 6.49 Favored Glycine 0 C--N 1.35 1.351 0 N-CA-C 118.767 2.267 . . . . 0.0 118.767 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -72.72 -28.93 13.34 Favored 'Trans proline' 0 CA--C 1.518 -0.314 0 CA-C-N 122.637 3.219 . . . . 0.0 111.189 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -64.24 -38.36 90.77 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.16 0.984 . . . . 0.0 112.139 174.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.0 tp -61.44 -42.83 99.36 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 124.932 1.293 . . . . 0.0 112.863 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.65 -43.92 93.74 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.214 -0.929 . . . . 0.0 111.617 172.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.7 m -62.4 -41.26 98.53 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.616 -1.302 . . . . 0.0 114.481 171.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.74 -44.42 96.95 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.218 -1.551 . . . . 0.0 113.666 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.63 -39.46 81.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 C-N-CA 124.361 1.064 . . . . 0.0 111.32 173.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -90.76 23.09 3.24 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.738 -1.226 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt 58.86 40.7 22.46 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 126.342 1.857 . . . . 0.0 115.718 169.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 102.08 -6.48 0.02 OUTLIER 'General case' 0 C--N 1.351 0.655 0 C-N-CA 131.286 3.835 . . . . 0.0 111.704 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 31.3 p . . . . . 0 C--N 1.353 0.752 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -172.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.24 -7.83 22.17 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.374 2.716 . . . . 0.0 112.236 -169.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm -59.33 -41.1 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 125.885 1.674 . . . . 0.0 110.998 168.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.39 -45.69 92.02 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.115 -0.991 . . . . 0.0 112.775 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.41 99.3 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 122.344 1.069 . . . . 0.0 112.527 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.8 t -62.09 -44.55 96.42 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.344 -1.472 . . . . 0.0 113.355 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.95 -43.26 99.28 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.885 1.274 . . . . 0.0 113.026 173.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.77 90.92 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.448 1.099 . . . . 0.0 112.676 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.02 91.07 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.421 -1.425 . . . . 0.0 114.41 171.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -73.38 -45.91 52.07 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.478 -2.014 . . . . 0.0 113.295 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -114.98 -11.97 12.07 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -163.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.11 -57.35 9.0 Favored Glycine 0 C--N 1.348 1.237 0 N-CA-C 117.606 1.803 . . . . 0.0 117.606 -176.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -72.93 -6.5 19.11 Favored 'Trans proline' 0 C--N 1.333 -0.286 0 CA-C-N 121.901 2.851 . . . . 0.0 112.38 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -99.3 -11.47 21.22 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 118.981 0.81 . . . . 0.0 110.231 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.79 -43.87 97.67 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 125.425 1.49 . . . . 0.0 111.952 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -59.97 -41.94 93.06 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 125.161 1.384 . . . . 0.0 111.932 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.7 m -63.5 -45.57 90.08 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.95 -1.094 . . . . 0.0 113.41 170.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.39 -43.05 97.03 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.557 -1.339 . . . . 0.0 113.725 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.92 -40.86 84.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 122.254 1.026 . . . . 0.0 111.271 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -85.98 34.04 0.61 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.287 -1.508 . . . . 0.0 111.6 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt 73.32 15.68 4.27 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 119.487 -2.008 . . . . 0.0 114.539 167.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm 100.18 3.7 0.02 OUTLIER 'General case' 0 C--N 1.35 0.628 1 C-N-CA 131.971 4.108 . . . . 0.0 111.505 -175.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.281 22.0 p . . . . . 0 C--N 1.353 0.734 0 C-N-CA 126.768 2.027 . . . . 0.0 115.897 -172.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.75 -6.02 18.26 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.466 2.777 . . . . 0.0 111.966 -174.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.49 -41.77 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 126.01 1.724 . . . . 0.0 110.488 169.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.06 -43.86 97.43 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 123.994 0.917 . . . . 0.0 113.015 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.97 98.82 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 122.223 1.011 . . . . 0.0 112.676 172.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.738 -1.226 . . . . 0.0 113.692 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.06 -44.05 90.26 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.907 -1.121 . . . . 0.0 113.07 170.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.76 96.09 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.823 1.249 . . . . 0.0 113.716 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.65 98.56 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.564 -1.335 . . . . 0.0 114.024 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -71.99 -45.38 61.17 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -107.36 -14.56 14.84 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.826 -1.171 . . . . 0.0 113.156 -168.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.61 -54.0 11.87 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 117.393 1.717 . . . . 0.0 117.393 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.29 -7.0 20.41 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 CA-C-N 122.714 3.257 . . . . 0.0 112.398 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -108.1 -3.9 18.22 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 119.263 0.938 . . . . 0.0 111.998 173.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.16 -44.9 90.69 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.475 -1.39 . . . . 0.0 111.175 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -59.77 -40.25 87.56 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.611 1.564 . . . . 0.0 111.897 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.5 m -63.61 -45.37 90.63 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.011 -1.056 . . . . 0.0 113.56 171.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.62 -42.92 97.8 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.751 -1.218 . . . . 0.0 113.378 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.48 -43.64 97.17 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-O 122.229 1.014 . . . . 0.0 111.507 170.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -87.38 48.02 1.59 Allowed 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.133 -1.604 . . . . 0.0 111.776 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.8 tttt 64.99 24.38 12.63 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.063 -1.648 . . . . 0.0 115.14 169.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 83.55 8.16 0.63 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 129.098 2.959 . . . . 0.0 112.367 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.267 19.1 p . . . . . 0 C--N 1.352 0.712 0 C-N-CA 127.976 2.51 . . . . 0.0 116.557 -171.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 . . . . . 0 N--CA 1.443 -0.821 0 CA-C-O 122.298 1.047 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -98.07 8.55 0.06 OUTLIER Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 -175.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.27 -8.53 22.9 Favored 'Trans proline' 0 C--N 1.351 0.702 1 CA-C-N 129.284 4.351 . . . . 0.0 112.976 -168.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.67 -41.02 88.77 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 125.772 1.629 . . . . 0.0 110.943 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.65 -43.67 96.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.397 -1.439 . . . . 0.0 111.038 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.8 92.4 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -65.35 -42.62 92.63 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.285 -1.51 . . . . 0.0 113.42 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.82 -46.19 89.12 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.057 -1.027 . . . . 0.0 112.906 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.46 96.91 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 119.851 -1.78 . . . . 0.0 113.109 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.85 -13.9 60.62 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.335 -1.478 . . . . 0.0 114.563 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -18.28 7.08 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.957 -1.714 . . . . 0.0 113.341 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -120.56 -8.57 9.53 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 119.99 -1.694 . . . . 0.0 112.799 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.29 -54.71 11.95 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 173.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.74 -18.86 24.7 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 CA-C-N 122.082 2.941 . . . . 0.0 111.917 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -69.58 -42.62 74.23 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 119.336 0.971 . . . . 0.0 111.516 169.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.89 -47.05 86.3 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 126.123 1.769 . . . . 0.0 113.828 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -61.36 -42.52 98.84 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.075 -1.016 . . . . 0.0 112.579 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 m -66.3 -37.74 86.11 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 171.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.04 -42.52 99.26 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 120.956 -1.09 . . . . 0.0 113.322 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.77 -43.76 92.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.29 1.036 . . . . 0.0 111.445 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -80.79 50.59 1.37 Allowed 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.367 -1.458 . . . . 0.0 111.578 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? 56.62 38.18 29.39 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 128.06 2.544 . . . . 0.0 114.253 170.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.82 69.81 0.71 Allowed 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.757 -1.215 . . . . 0.0 113.689 -170.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.24 0.576 0 O-C-N 120.088 -1.632 . . . . 0.0 114.326 176.895 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 N--CA 1.437 -1.11 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -112.27 61.43 0.6 Allowed Pre-proline 0 C--N 1.349 0.571 0 O-C-N 120.478 -1.388 . . . . 0.0 113.44 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.56 -9.43 25.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 CA-C-N 124.42 2.614 . . . . 0.0 111.474 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.423 HD11 ' H ' ' A' ' 4' ' ' ILE . 3.7 mp -59.12 -41.54 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 126.055 1.742 . . . . 0.0 111.159 171.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.0 -46.86 87.37 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.236 -0.915 . . . . 0.0 112.966 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.33 99.1 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.369 1.081 . . . . 0.0 112.676 173.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t -61.17 -44.05 97.91 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.822 -1.174 . . . . 0.0 113.322 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.7 -45.74 77.84 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.296 1.039 . . . . 0.0 113.373 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.24 93.87 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.83 -1.169 . . . . 0.0 113.293 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.81 -33.49 71.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -99.22 -6.98 27.15 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.127 -1.608 . . . . 0.0 112.879 -174.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -143.68 -2.49 0.95 Allowed 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -172.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.86 -57.07 8.03 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 118.211 2.044 . . . . 0.0 118.211 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -75.73 -24.11 12.01 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 CA-C-N 122.124 2.962 . . . . 0.0 110.681 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -65.86 -38.79 89.76 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.741 0.817 . . . . 0.0 111.723 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.87 -44.35 97.18 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 125.234 1.414 . . . . 0.0 112.338 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.92 -43.71 94.73 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 122.241 1.019 . . . . 0.0 111.83 173.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.6 m -61.55 -44.41 97.09 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.454 -1.404 . . . . 0.0 113.949 170.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.64 -42.18 96.44 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.144 -1.597 . . . . 0.0 114.06 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.36 -39.49 79.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 122.461 1.124 . . . . 0.0 111.031 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -85.73 28.38 0.78 Allowed 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.592 -1.318 . . . . 0.0 111.519 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt 63.15 32.63 15.0 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 119.275 -2.141 . . . . 0.0 114.957 172.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 89.16 11.38 0.08 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 131.334 3.854 . . . . 0.0 112.034 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.259 32.1 p . . . . . 0 C--N 1.352 0.702 0 C-N-CA 126.864 2.065 . . . . 0.0 116.167 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 N--CA 1.437 -1.122 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.28 144.81 91.21 Favored Pre-proline 0 CA--C 1.539 0.535 0 O-C-N 120.414 -1.429 . . . . 0.0 112.937 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.72 -5.22 15.65 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.87 3.046 . . . . 0.0 113.042 -170.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.1 mm -58.63 -40.54 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 125.529 1.532 . . . . 0.0 110.835 167.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.7 tp -62.39 -43.3 99.14 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 121.096 -1.003 . . . . 0.0 112.856 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.38 99.31 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.011 -1.056 . . . . 0.0 112.892 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.0 t -62.35 -44.29 96.83 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.699 -1.251 . . . . 0.0 113.17 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.29 -45.09 94.81 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.405 -1.434 . . . . 0.0 112.941 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.68 -46.28 90.39 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 119.751 -1.843 . . . . 0.0 113.084 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.23 94.9 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -110.32 -10.52 14.6 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.269 -1.519 . . . . 0.0 113.351 -172.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -122.27 -7.82 8.73 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 119.844 -1.785 . . . . 0.0 112.222 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.67 -56.9 9.04 Favored Glycine 0 C--N 1.352 1.424 0 N-CA-C 118.023 1.969 . . . . 0.0 118.023 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -69.18 -29.41 26.7 Favored 'Trans proline' 0 CA--C 1.517 -0.329 0 CA-C-N 122.098 2.949 . . . . 0.0 111.437 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -64.81 -39.7 94.01 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 121.741 -0.599 . . . . 0.0 112.137 174.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.02 -43.3 99.08 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 126.274 1.83 . . . . 0.0 112.406 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.25 -44.21 92.39 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.921 -1.112 . . . . 0.0 111.791 173.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.06 -39.33 94.4 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 172.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.1 -44.66 88.11 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.79 -1.194 . . . . 0.0 114.158 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.52 -42.93 97.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.778 -1.201 . . . . 0.0 111.578 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -61.35 -46.1 91.65 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.889 -1.132 . . . . 0.0 111.631 171.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 93.87 88.92 0.01 OUTLIER 'General case' 0 C--N 1.349 0.56 0 C-N-CA 130.42 3.488 . . . . 0.0 109.663 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt 62.3 51.32 3.47 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.933 1.293 . . . . 0.0 114.001 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.353 0.719 0 N-CA-C 115.535 1.679 . . . . 0.0 115.535 -176.779 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 19.8 t80 . . . . . 0 N--CA 1.437 -1.117 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.48 144.83 91.89 Favored Pre-proline 0 CA--C 1.541 0.611 0 O-C-N 120.324 -1.485 . . . . 0.0 113.608 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.01 -2.67 10.05 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 124.315 3.343 . . . . 0.0 113.168 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.05 -40.98 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 126.103 1.761 . . . . 0.0 111.16 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.1 mt -62.35 -44.48 96.38 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.934 -1.104 . . . . 0.0 113.462 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.63 99.59 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 121.014 -1.054 . . . . 0.0 112.588 173.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 t -60.97 -44.77 96.85 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.886 -1.133 . . . . 0.0 112.841 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.83 -46.38 82.19 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.623 -1.298 . . . . 0.0 113.151 171.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.22 95.32 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.526 -1.359 . . . . 0.0 113.75 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.36 98.58 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -104.39 -2.91 24.78 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.291 -1.506 . . . . 0.0 113.224 -171.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -140.48 -3.29 1.34 Allowed 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.897 -1.127 . . . . 0.0 113.865 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.59 -56.12 10.06 Favored Glycine 0 C--N 1.35 1.326 0 N-CA-C 118.215 2.046 . . . . 0.0 118.215 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -69.85 -27.74 25.67 Favored 'Trans proline' 0 CA--C 1.518 -0.302 0 CA-C-N 122.146 2.973 . . . . 0.0 111.679 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -65.93 -42.26 90.29 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 121.671 -0.643 . . . . 0.0 111.478 173.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.8 -42.32 98.86 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 125.543 1.537 . . . . 0.0 112.887 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.08 -44.35 91.89 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 122.007 0.908 . . . . 0.0 111.87 172.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.9 m -62.66 -36.1 81.77 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 171.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.6 mt -59.77 -33.74 72.07 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.529 -1.357 . . . . 0.0 114.226 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.18 -39.15 57.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 C-N-CA 124.783 1.233 . . . . 0.0 112.348 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -90.82 13.88 15.15 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.406 -1.434 . . . . 0.0 111.162 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt 63.43 45.51 4.8 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.912 1.685 . . . . 0.0 111.933 -175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.319 0.0 OUTLIER 77.94 111.1 0.07 Allowed 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.859 2.064 . . . . 0.0 110.216 -171.481 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 C--N 1.347 0.489 0 O-C-N 120.308 -1.495 . . . . 0.0 112.632 -178.713 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 N--CA 1.437 -1.078 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.11 143.4 92.3 Favored Pre-proline 0 CA--C 1.54 0.591 0 O-C-N 120.005 -1.684 . . . . 0.0 113.428 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -70.66 -5.99 18.03 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.63 2.887 . . . . 0.0 112.403 -171.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.0 mm -58.35 -41.77 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 125.801 1.64 . . . . 0.0 110.828 168.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.45 -43.85 96.21 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.727 1.211 . . . . 0.0 112.271 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.16 99.23 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.967 -1.083 . . . . 0.0 112.713 173.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t -61.81 -42.99 99.71 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.706 -1.246 . . . . 0.0 113.377 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.3 -43.17 98.6 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.566 1.147 . . . . 0.0 113.069 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.27 97.87 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 121.014 -1.054 . . . . 0.0 113.638 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.64 98.43 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.516 -1.365 . . . . 0.0 113.816 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -68.26 -46.67 69.8 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.045 -1.66 . . . . 0.0 113.856 176.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -117.86 -9.25 10.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -163.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.41 -59.52 7.68 Favored Glycine 0 C--N 1.348 1.25 0 N-CA-C 118.383 2.113 . . . . 0.0 118.383 -173.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -80.41 -17.18 10.32 Favored 'Trans proline' 0 CA--C 1.515 -0.459 0 CA-C-N 121.627 2.714 . . . . 0.0 109.888 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -67.62 -41.79 83.36 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.117 0.967 . . . . 0.0 110.415 174.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.14 -41.32 92.48 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.453 2.301 . . . . 0.0 112.714 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -58.32 -44.88 88.83 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-O 122.176 0.989 . . . . 0.0 111.713 174.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 m -66.19 -38.56 88.32 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.12 -43.59 98.65 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.493 -1.38 . . . . 0.0 113.535 174.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.55 -40.72 85.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 124.807 1.243 . . . . 0.0 111.074 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -82.19 44.29 0.85 Allowed 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.551 -1.343 . . . . 0.0 111.379 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 59.74 39.02 21.38 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.464 2.306 . . . . 0.0 114.947 172.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt 60.66 56.37 3.04 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.162 1.385 . . . . 0.0 113.475 -175.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.35 0.609 0 O-C-N 120.284 -1.51 . . . . 0.0 114.193 178.595 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 N--CA 1.442 -0.851 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -112.97 65.0 0.89 Allowed Pre-proline 0 C--N 1.348 0.539 0 O-C-N 120.917 -1.114 . . . . 0.0 113.007 175.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.19 -7.02 20.48 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.067 2.511 . . . . 0.0 111.952 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.4 mp -58.39 -42.95 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 126.129 1.772 . . . . 0.0 111.136 173.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.39 -45.55 92.63 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.06 -1.025 . . . . 0.0 112.581 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.5 99.54 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.878 -1.139 . . . . 0.0 112.793 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -60.87 -44.87 96.46 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.822 -1.174 . . . . 0.0 112.933 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.25 -45.22 85.48 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 121.163 -0.961 . . . . 0.0 113.007 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.39 97.07 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.03 99.75 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.567 -1.333 . . . . 0.0 114.093 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -77.06 -45.66 26.32 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 119.954 -1.716 . . . . 0.0 114.101 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -116.68 -12.83 10.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -164.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.76 -56.85 18.38 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 120.442 -1.411 . . . . 0.0 116.056 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -69.54 -3.62 12.23 Favored 'Trans proline' 0 C--N 1.331 -0.388 0 CA-C-N 121.171 2.486 . . . . 0.0 113.218 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -100.93 -9.3 21.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 119.362 0.983 . . . . 0.0 110.107 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.13 -42.06 98.87 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 125.554 1.542 . . . . 0.0 112.351 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -58.95 -41.02 86.43 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.27 1.428 . . . . 0.0 112.026 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.1 m -65.94 -40.62 91.52 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 171.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.17 -45.51 91.46 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.335 -1.478 . . . . 0.0 113.248 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.95 -37.42 77.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 C-N-CA 125.274 1.43 . . . . 0.0 112.657 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -93.22 6.34 48.39 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 120.368 -1.457 . . . . 0.0 112.918 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.7 tttt 59.4 50.55 7.52 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.892 1.277 . . . . 0.0 112.572 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 83.36 112.31 0.06 Allowed 'General case' 0 C--N 1.351 0.661 0 C-N-CA 128.603 2.761 . . . . 0.0 111.125 -171.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.349 0.565 0 O-C-N 120.569 -1.332 . . . . 0.0 112.249 -179.306 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 122.12 0.962 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.57 142.05 94.44 Favored Pre-proline 0 N--CA 1.447 -0.624 0 C-N-CA 124.793 1.237 . . . . 0.0 113.953 -174.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.51 -5.9 17.74 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.594 2.863 . . . . 0.0 112.083 -176.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -58.38 -41.63 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 126.113 1.765 . . . . 0.0 110.445 167.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.42 -44.76 95.65 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.397 1.079 . . . . 0.0 112.785 177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.71 99.77 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-O 122.248 1.023 . . . . 0.0 112.676 173.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -62.31 -44.09 97.33 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.376 -1.453 . . . . 0.0 113.148 174.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.39 -44.42 96.49 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 124.464 1.105 . . . . 0.0 112.808 173.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.27 87.94 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.66 1.184 . . . . 0.0 113.024 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.42 89.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.614 -1.304 . . . . 0.0 114.443 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -75.44 -44.64 43.24 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.59 -1.944 . . . . 0.0 112.675 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.44 -15.66 14.75 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -160.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.97 -56.81 19.04 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 119.905 -1.747 . . . . 0.0 114.237 169.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.18 52.78 4.42 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.74 2.293 . . . . 0.0 110.835 167.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -145.09 -57.86 0.34 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 128.688 2.795 . . . . 0.0 104.541 166.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -52.28 -41.9 63.27 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 128.483 2.713 . . . . 0.0 114.234 -173.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -56.15 -40.84 74.48 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 122.12 0.962 . . . . 0.0 112.585 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.9 m -78.94 -17.78 54.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 120.221 -1.549 . . . . 0.0 113.755 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.37 -19.33 50.45 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 120.632 -1.293 . . . . 0.0 112.534 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.75 -39.61 77.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.662 1.185 . . . . 0.0 111.184 171.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 15.57 8.41 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.462 -1.399 . . . . 0.0 111.471 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.13 41.43 6.27 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 125.954 1.702 . . . . 0.0 111.977 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp 82.71 93.39 0.04 OUTLIER 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.33 2.652 . . . . 0.0 111.381 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.348 0.53 0 O-C-N 120.597 -1.314 . . . . 0.0 113.206 170.258 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 N--CA 1.442 -0.872 0 CA-C-O 121.542 0.686 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.4 mt 57.13 -179.63 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 126.642 1.977 . . . . 0.0 115.306 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -66.36 -3.77 9.45 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.127 1.885 . . . . 0.0 113.072 166.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm -60.07 -45.84 95.1 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 C-N-CA 125.013 1.325 . . . . 0.0 111.694 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.16 -42.52 99.34 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.823 -1.173 . . . . 0.0 113.718 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.28 98.61 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.893 -1.129 . . . . 0.0 112.832 173.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -61.53 -45.08 95.71 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.641 -1.287 . . . . 0.0 112.756 174.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.48 -43.53 98.58 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.611 -1.306 . . . . 0.0 113.035 173.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.57 97.11 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 121.124 -0.985 . . . . 0.0 113.559 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.87 94.85 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.635 -1.291 . . . . 0.0 113.977 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -68.41 -44.69 74.49 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.919 -1.738 . . . . 0.0 114.269 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -118.9 -9.8 10.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -164.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.33 -58.7 6.32 Favored Glycine 0 N--CA 1.475 1.284 0 N-CA-C 118.998 2.359 . . . . 0.0 118.998 -170.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -78.4 -20.34 11.08 Favored 'Trans proline' 0 CA--C 1.515 -0.425 0 CA-C-N 121.934 2.867 . . . . 0.0 110.376 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -69.46 -42.17 75.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.964 0.905 . . . . 0.0 110.858 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.5 -43.18 99.32 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 127.047 2.139 . . . . 0.0 112.012 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -58.41 -44.06 88.88 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.995 0.918 . . . . 0.0 112.036 173.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 m -62.81 -33.69 75.75 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -70.0 -20.43 63.29 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.536 -1.352 . . . . 0.0 114.147 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.09 -39.17 71.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.299 1.04 . . . . 0.0 111.738 173.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -89.75 18.66 5.35 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.399 -1.438 . . . . 0.0 111.342 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt 65.67 39.77 4.72 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 126.537 1.935 . . . . 0.0 112.428 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 81.7 98.85 0.05 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 127.022 2.129 . . . . 0.0 109.875 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.347 0.482 0 O-C-N 120.632 -1.293 . . . . 0.0 114.146 178.3 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 . . . . . 0 N--CA 1.439 -0.975 0 CA-C-O 122.113 0.959 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.1 mp 61.37 178.86 0.04 OUTLIER Pre-proline 0 C--N 1.355 0.814 0 C-N-CA 125.48 1.512 . . . . 0.0 113.856 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -67.3 -5.02 12.84 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 O-C-N 117.209 -2.048 . . . . 0.0 112.766 168.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.76 -49.94 82.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 125.114 1.366 . . . . 0.0 111.484 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.7 -40.68 95.77 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.04 -1.037 . . . . 0.0 113.096 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.09 96.05 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.99 -1.069 . . . . 0.0 112.846 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.3 t -63.66 -44.18 94.55 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.31 -1.494 . . . . 0.0 113.341 172.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.78 -44.99 95.8 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.675 -1.266 . . . . 0.0 112.992 174.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -45.21 95.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 120.585 -1.322 . . . . 0.0 113.093 175.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.28 99.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -96.7 -7.99 32.6 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 119.892 -1.755 . . . . 0.0 112.943 -175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -139.81 -4.09 1.41 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.97 -56.11 9.25 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 118.291 2.076 . . . . 0.0 118.291 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -71.31 -26.81 20.3 Favored 'Trans proline' 0 CA--C 1.517 -0.35 0 CA-C-N 122.227 3.014 . . . . 0.0 111.644 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -66.21 -43.21 87.36 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 121.7 -0.625 . . . . 0.0 111.303 173.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.28 -44.37 97.35 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.901 1.68 . . . . 0.0 111.99 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.02 -44.59 91.73 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 124.142 0.977 . . . . 0.0 112.11 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.6 m -63.1 -34.09 76.86 Favored 'General case' 0 C--N 1.346 0.44 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 171.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.5 -20.66 63.71 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.666 -1.271 . . . . 0.0 114.097 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.19 -39.13 72.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 C-N-CA 124.238 1.015 . . . . 0.0 111.66 172.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -90.81 16.36 9.48 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.443 -1.411 . . . . 0.0 111.212 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt 64.96 40.67 5.13 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 126.37 1.868 . . . . 0.0 112.565 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 83.2 99.57 0.05 OUTLIER 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.187 2.195 . . . . 0.0 109.674 -176.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 C--N 1.347 0.49 0 O-C-N 120.652 -1.28 . . . . 0.0 114.152 178.417 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 N--CA 1.444 -0.737 0 CA-C-O 122.127 0.965 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.71 145.55 91.74 Favored Pre-proline 0 N--CA 1.449 -0.523 0 C-N-CA 124.711 1.204 . . . . 0.0 112.81 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.64 -5.2 14.75 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.774 2.983 . . . . 0.0 112.612 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.0 -41.48 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 126.306 1.842 . . . . 0.0 110.617 166.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.29 -45.58 92.62 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 124.394 1.077 . . . . 0.0 113.058 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.89 98.87 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.028 -1.045 . . . . 0.0 112.487 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 t -61.63 -43.5 98.74 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.767 -1.208 . . . . 0.0 113.353 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.5 -42.67 98.5 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.798 -1.189 . . . . 0.0 113.181 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.2 97.51 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 121.049 -1.032 . . . . 0.0 113.321 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.05 99.76 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.639 -1.288 . . . . 0.0 113.723 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -65.88 -43.92 86.86 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.084 -1.635 . . . . 0.0 114.371 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -121.18 -9.65 9.1 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -165.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.3 -59.44 5.21 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 119.745 2.658 . . . . 0.0 119.745 -168.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -79.61 -22.45 7.87 Favored 'Trans proline' 0 CA--C 1.516 -0.413 0 CA-C-N 122.378 3.089 . . . . 0.0 109.991 -177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -68.28 -40.33 81.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.952 1.301 . . . . 0.0 110.647 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -61.38 -43.68 98.46 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 126.672 1.989 . . . . 0.0 112.325 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -59.41 -43.62 93.0 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.933 -1.104 . . . . 0.0 111.808 173.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.9 m -63.06 -39.6 95.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 120.243 -1.536 . . . . 0.0 115.07 170.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.28 -42.73 99.6 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.17 1.35 . . . . 0.0 113.657 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.64 -39.32 79.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.821 1.249 . . . . 0.0 111.01 171.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -81.33 38.79 0.5 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.582 -1.324 . . . . 0.0 111.559 174.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? 56.05 38.82 30.32 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 128.416 2.686 . . . . 0.0 114.448 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.71 74.08 0.44 Allowed 'General case' 0 C--N 1.347 0.477 0 C-N-CA 124.798 1.239 . . . . 0.0 112.316 -171.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.8 p . . . . . 0 C--O 1.24 0.558 0 CA-C-O 123.162 1.458 . . . . 0.0 114.293 176.608 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 p90 . . . . . 0 N--CA 1.444 -0.751 0 CA-C-O 121.855 0.836 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.61 67.06 0.51 Allowed Pre-proline 0 C--N 1.347 0.489 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.69 -6.4 18.97 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.321 2.681 . . . . 0.0 111.426 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.28 -42.4 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 126.921 2.088 . . . . 0.0 110.735 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.55 -45.34 93.4 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.125 -0.985 . . . . 0.0 113.101 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.34 99.69 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.377 1.084 . . . . 0.0 112.426 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -62.15 -44.69 96.07 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.349 -1.47 . . . . 0.0 113.283 174.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.87 -43.29 99.2 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.796 1.238 . . . . 0.0 112.997 173.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.77 90.6 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.318 1.047 . . . . 0.0 112.674 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.86 91.16 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.344 -1.472 . . . . 0.0 114.489 171.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -73.43 -45.09 56.48 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.441 -2.037 . . . . 0.0 113.518 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -112.69 -12.57 13.37 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -164.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.68 -56.28 9.95 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 117.377 1.711 . . . . 0.0 117.377 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -72.25 -5.68 17.61 Favored 'Trans proline' 0 C--N 1.332 -0.323 0 CA-C-N 122.039 2.919 . . . . 0.0 112.788 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -101.39 -12.12 18.85 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 119.193 0.906 . . . . 0.0 110.313 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.22 -39.4 90.13 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.565 1.946 . . . . 0.0 112.197 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -56.48 -37.23 70.06 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.67 1.588 . . . . 0.0 112.54 174.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.2 m -92.41 -11.59 34.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.75 -1.218 . . . . 0.0 112.945 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.94 -41.14 71.53 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.371 -1.456 . . . . 0.0 110.956 161.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.99 -54.08 30.91 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 120.496 -1.377 . . . . 0.0 111.341 169.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -102.08 68.48 1.11 Allowed 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 124.474 1.109 . . . . 0.0 109.461 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 16.15 72.02 0.01 OUTLIER 'General case' 0 C--N 1.352 0.679 0 C-N-CA 130.564 3.546 . . . . 0.0 118.264 166.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? 59.71 50.98 6.58 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.346 0.427 0 O-C-N 120.727 -1.233 . . . . 0.0 113.579 171.811 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.0 t80 . . . . . 0 N--CA 1.436 -1.126 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.54 146.03 90.45 Favored Pre-proline 0 CA--C 1.541 0.622 0 O-C-N 120.36 -1.462 . . . . 0.0 113.903 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -67.86 -1.94 7.76 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 124.564 3.509 . . . . 0.0 113.187 -174.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.8 mt -55.92 -41.01 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 126.524 1.93 . . . . 0.0 110.588 168.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.93 -43.48 98.75 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 121.06 -1.025 . . . . 0.0 113.727 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.16 98.77 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.778 -1.201 . . . . 0.0 112.474 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t -61.68 -43.97 97.85 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.6 -1.313 . . . . 0.0 113.166 173.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.19 -40.49 97.67 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.896 1.278 . . . . 0.0 113.077 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.93 95.89 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.679 -1.263 . . . . 0.0 113.412 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.73 87.49 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.118 -1.614 . . . . 0.0 113.815 172.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -64.63 -46.56 82.07 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.288 -1.507 . . . . 0.0 113.832 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -126.71 -26.69 3.19 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 120.845 -1.159 . . . . 0.0 113.422 -166.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.77 -57.77 5.83 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 119.206 2.443 . . . . 0.0 119.206 -170.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -75.67 -6.23 17.36 Favored 'Trans proline' 0 CA--C 1.517 -0.361 0 CA-C-N 123.157 3.479 . . . . 0.0 111.901 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -102.22 -15.97 16.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.33 1.052 . . . . 0.0 109.182 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.01 -39.45 92.28 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.796 2.438 . . . . 0.0 112.465 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -57.91 -41.67 83.12 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.45 1.1 . . . . 0.0 112.339 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 m -75.77 -25.09 56.14 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.483 -1.386 . . . . 0.0 114.247 173.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.19 -42.0 96.86 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 120.097 1.317 . . . . 0.0 112.399 169.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.98 -42.96 91.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 C-N-CA 124.755 1.222 . . . . 0.0 111.554 172.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -81.11 40.89 0.56 Allowed 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.272 -1.518 . . . . 0.0 111.953 174.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt 56.91 45.76 20.81 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 127.789 2.436 . . . . 0.0 115.619 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt 62.0 55.61 2.5 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 125.546 1.539 . . . . 0.0 113.607 -176.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 C--N 1.349 0.586 0 O-C-N 120.391 -1.443 . . . . 0.0 113.633 177.103 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 N--CA 1.441 -0.925 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.49 138.81 97.02 Favored Pre-proline 0 C--N 1.348 0.541 0 O-C-N 119.809 -1.807 . . . . 0.0 113.039 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -71.51 -6.3 18.87 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.507 2.805 . . . . 0.0 111.851 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.68 -41.76 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 125.842 1.657 . . . . 0.0 110.505 168.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.31 -43.3 98.22 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.088 -1.008 . . . . 0.0 112.954 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.0 98.4 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.226 1.01 . . . . 0.0 112.428 172.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -61.87 -44.59 96.52 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.517 -1.364 . . . . 0.0 113.262 173.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.09 -45.39 92.3 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.612 -1.305 . . . . 0.0 112.672 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.35 -43.91 98.08 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.375 1.07 . . . . 0.0 113.671 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.33 99.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 120.505 -1.372 . . . . 0.0 114.272 176.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -43.66 21.27 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.555 -1.341 . . . . 0.0 113.305 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -105.78 -14.32 15.27 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.539 -1.351 . . . . 0.0 113.145 -169.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.69 -53.07 14.01 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 125.591 1.567 . . . . 0.0 116.956 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -69.28 -3.94 12.7 Favored 'Trans proline' 0 C--O 1.235 0.372 0 CA-C-N 122.408 3.104 . . . . 0.0 113.01 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -111.47 -3.61 15.13 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.846 -1.159 . . . . 0.0 111.962 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.47 -44.3 91.49 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.446 -1.409 . . . . 0.0 112.378 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.59 -39.65 84.86 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.296 1.038 . . . . 0.0 111.802 172.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.99 -42.9 97.05 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.727 -1.233 . . . . 0.0 113.487 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.67 -43.71 97.33 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.738 -1.226 . . . . 0.0 113.058 177.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.03 -45.01 99.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-O 122.143 0.973 . . . . 0.0 111.833 171.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m -89.01 46.48 1.39 Allowed 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.08 -1.638 . . . . 0.0 111.879 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.2 tttt 59.92 33.73 21.55 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 168.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 84.03 2.53 0.88 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 129.302 3.041 . . . . 0.0 112.968 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.263 20.0 p . . . . . 0 C--N 1.352 0.702 0 C-N-CA 127.521 2.329 . . . . 0.0 116.792 -171.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.441 -0.882 0 CA-C-O 121.743 0.783 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.7 mt -114.56 70.01 2.15 Favored Pre-proline 0 C--N 1.347 0.462 0 O-C-N 121.123 -0.985 . . . . 0.0 112.906 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -71.65 -5.16 16.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.601 2.867 . . . . 0.0 112.307 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.25 -41.3 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 127.347 2.259 . . . . 0.0 111.509 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.02 -43.89 97.47 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.344 -1.473 . . . . 0.0 111.993 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.33 94.26 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.986 -1.071 . . . . 0.0 113.698 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.4 p -65.84 -45.22 83.0 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.299 -1.5 . . . . 0.0 113.524 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.67 -46.12 80.32 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 174.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.2 93.93 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.825 -1.797 . . . . 0.0 113.122 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.13 92.52 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -103.51 -13.03 16.75 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.037 -1.665 . . . . 0.0 112.465 -171.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -124.85 -3.06 7.73 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 119.89 -1.756 . . . . 0.0 112.885 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.51 -55.1 11.37 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 117.679 1.832 . . . . 0.0 117.679 173.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.72 -28.39 37.14 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 CA-C-N 121.917 2.858 . . . . 0.0 112.049 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -65.34 -41.64 93.73 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 118.84 0.745 . . . . 0.0 111.971 173.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.11 -42.97 99.5 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.866 1.667 . . . . 0.0 112.271 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.39 -45.28 88.65 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.145 -0.972 . . . . 0.0 111.923 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.8 m -63.23 -37.9 89.06 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 171.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.59 -40.16 93.78 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.41 -1.431 . . . . 0.0 113.239 174.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.3 t -58.96 -36.81 63.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 C-N-CA 124.574 1.15 . . . . 0.0 112.055 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -17.69 61.89 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.9 -1.75 . . . . 0.0 113.35 174.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? 72.35 45.01 0.38 Allowed 'General case' 0 C--N 1.353 0.73 0 C-N-CA 126.876 2.07 . . . . 0.0 111.316 -167.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 86.68 101.94 0.04 OUTLIER 'General case' 0 C--N 1.351 0.64 0 C-N-CA 128.299 2.64 . . . . 0.0 109.583 -175.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.347 0.496 0 O-C-N 120.728 -1.232 . . . . 0.0 113.418 179.832 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 121.7 0.762 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.38 66.44 1.62 Allowed Pre-proline 0 C--N 1.346 0.449 0 O-C-N 121.114 -0.991 . . . . 0.0 113.443 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.41 -5.08 16.26 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.482 2.788 . . . . 0.0 111.819 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.9 mm -58.04 -42.43 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 126.825 2.05 . . . . 0.0 111.625 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.8 -46.32 90.03 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 121.109 -0.994 . . . . 0.0 112.509 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.21 98.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.912 -1.118 . . . . 0.0 112.654 174.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.3 t -60.83 -44.32 97.1 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.936 -1.103 . . . . 0.0 113.053 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.85 -44.81 80.05 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.234 1.013 . . . . 0.0 113.319 171.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.4 97.18 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.51 1.124 . . . . 0.0 114.006 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.97 98.24 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.43 -1.419 . . . . 0.0 113.746 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -72.65 -48.56 38.33 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.139 -1.6 . . . . 0.0 113.442 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -113.05 -18.19 12.24 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -164.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.79 -55.91 20.97 Favored Glycine 0 C--N 1.348 1.218 0 O-C-N 120.501 -1.374 . . . . 0.0 115.86 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -69.35 -3.26 11.38 Favored 'Trans proline' 0 C--N 1.331 -0.394 0 CA-C-N 121.218 2.509 . . . . 0.0 113.522 173.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -100.86 -13.01 18.55 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.959 1.254 . . . . 0.0 110.389 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.89 -42.82 99.52 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.857 1.663 . . . . 0.0 112.426 -171.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -58.98 -41.6 87.97 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.958 1.303 . . . . 0.0 112.161 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.3 m -66.66 -39.23 88.11 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.31 -45.39 88.12 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.976 -1.077 . . . . 0.0 113.31 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.22 -36.23 71.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 C-N-CA 125.434 1.494 . . . . 0.0 112.09 176.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 p -90.18 12.79 16.91 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 120.496 -1.377 . . . . 0.0 112.256 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.254 1.9 tmtm? 73.96 24.14 2.09 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.792 1.237 . . . . 0.0 112.869 163.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 96.5 92.9 0.01 OUTLIER 'General case' 0 C--N 1.352 0.695 0 C-N-CA 130.958 3.703 . . . . 0.0 109.848 -177.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--N 1.35 0.623 0 CA-C-O 122.714 1.245 . . . . 0.0 114.219 177.297 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 N--CA 1.441 -0.888 0 CA-C-O 122.063 0.935 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp 66.06 177.28 0.05 OUTLIER Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 126.3 1.84 . . . . 0.0 114.556 170.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -64.25 -1.02 3.27 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.997 2.465 . . . . 0.0 114.485 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.7 -39.33 76.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 C-N-CA 125.997 1.719 . . . . 0.0 111.242 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.32 -44.38 95.52 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.085 -1.635 . . . . 0.0 112.995 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.0 94.06 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.969 -1.082 . . . . 0.0 113.661 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.3 p -65.34 -43.43 90.95 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.418 -1.426 . . . . 0.0 113.379 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.86 -49.58 67.61 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.914 -1.116 . . . . 0.0 113.325 172.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.02 90.93 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.587 -1.945 . . . . 0.0 113.736 -177.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.44 15.24 12.68 Favored 'General case' 0 N--CA 1.446 -0.634 0 O-C-N 120.271 -1.518 . . . . 0.0 112.836 -172.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.6 -27.55 1.03 Allowed 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.697 -1.252 . . . . 0.0 111.795 168.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -118.27 -5.96 10.85 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.437 -1.415 . . . . 0.0 113.336 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.52 -55.58 9.16 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 118.054 1.982 . . . . 0.0 118.054 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -74.44 -22.19 16.4 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 CA-C-N 121.951 2.875 . . . . 0.0 111.323 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -67.68 -43.49 80.04 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 118.725 0.693 . . . . 0.0 111.009 172.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.22 -44.18 97.69 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.177 1.791 . . . . 0.0 112.046 175.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.58 -44.44 89.8 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.156 0.982 . . . . 0.0 112.17 173.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.8 m -63.55 -33.27 75.21 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 171.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.0 mt -70.01 -20.57 63.27 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.662 -1.274 . . . . 0.0 114.102 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.15 -39.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 124.254 1.022 . . . . 0.0 111.686 173.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.26 16.87 7.85 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.405 -1.434 . . . . 0.0 111.337 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt 65.1 40.78 4.88 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 126.332 1.853 . . . . 0.0 112.441 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 82.93 99.57 0.05 OUTLIER 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.099 2.16 . . . . 0.0 109.72 -176.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 C--N 1.347 0.457 0 O-C-N 120.693 -1.254 . . . . 0.0 114.208 178.604 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.1 p90 . . . . . 0 N--CA 1.445 -0.686 0 CA-C-O 122.136 0.969 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.1 144.76 90.66 Favored Pre-proline 0 N--CA 1.447 -0.585 0 C-N-CA 124.936 1.294 . . . . 0.0 113.193 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.72 -5.91 17.32 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 123.326 2.684 . . . . 0.0 112.458 -174.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.7 mt -59.52 -40.98 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 126.928 2.091 . . . . 0.0 111.01 168.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.08 -45.89 90.01 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.514 -1.366 . . . . 0.0 111.506 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.3 91.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.083 0.953 . . . . 0.0 113.381 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 p -64.1 -42.62 96.82 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.361 -1.462 . . . . 0.0 113.591 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.89 -42.78 89.84 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 126.05 1.74 . . . . 0.0 113.951 170.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.09 85.38 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.074 -1.641 . . . . 0.0 111.762 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.8 23.99 0.31 Allowed 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.871 -1.143 . . . . 0.0 114.062 172.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -130.08 -34.35 1.68 Allowed 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.036 -1.665 . . . . 0.0 109.871 161.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -111.61 -4.5 14.73 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.5 -56.98 6.85 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 118.397 2.119 . . . . 0.0 118.397 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -78.23 -21.63 10.37 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 CA-C-N 122.099 2.949 . . . . 0.0 110.715 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -66.92 -38.94 87.13 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.478 0.711 . . . . 0.0 111.444 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.31 -43.19 96.56 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.119 1.768 . . . . 0.0 112.296 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -59.09 -44.55 91.94 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.957 -1.089 . . . . 0.0 111.632 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.43 -36.75 85.17 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 172.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.15 -43.06 99.36 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.44 1.473 . . . . 0.0 113.334 170.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.62 -35.15 57.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 120.529 -1.357 . . . . 0.0 111.702 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 m -91.44 2.01 56.72 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 125.518 1.527 . . . . 0.0 111.341 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.251 6.2 mptt 62.35 52.7 2.99 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.85 1.66 . . . . 0.0 115.097 177.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt 85.58 58.45 0.01 OUTLIER 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.282 1.833 . . . . 0.0 112.419 172.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.7 p . . . . . 0 C--N 1.351 0.67 0 O-C-N 120.228 -1.545 . . . . 0.0 112.622 171.465 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 N--CA 1.436 -1.132 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.0 mt -113.26 65.95 1.07 Allowed Pre-proline 0 C--N 1.349 0.57 0 O-C-N 120.603 -1.311 . . . . 0.0 113.586 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.62 -7.19 20.75 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.02 2.48 . . . . 0.0 111.841 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.426 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp -58.21 -41.53 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 126.16 1.784 . . . . 0.0 111.113 172.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.07 -46.05 90.82 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.097 -1.002 . . . . 0.0 113.204 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.83 97.88 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.229 1.014 . . . . 0.0 112.616 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.7 t -61.41 -44.23 97.5 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.899 -1.126 . . . . 0.0 113.117 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.91 -47.3 78.27 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.225 -0.922 . . . . 0.0 112.89 171.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.36 93.64 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.996 -1.065 . . . . 0.0 113.544 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.64 -35.65 74.82 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.97 -1.081 . . . . 0.0 113.797 175.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -101.09 8.19 42.94 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.401 -1.437 . . . . 0.0 112.901 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -138.47 -16.02 1.21 Allowed 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.605 -1.309 . . . . 0.0 114.074 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.55 -57.61 6.49 Favored Glycine 0 C--N 1.35 1.351 0 N-CA-C 118.767 2.267 . . . . 0.0 118.767 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -72.72 -28.93 13.34 Favored 'Trans proline' 0 CA--C 1.518 -0.314 0 CA-C-N 122.637 3.219 . . . . 0.0 111.189 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -64.24 -38.36 90.77 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.16 0.984 . . . . 0.0 112.139 174.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.0 tp -61.44 -42.83 99.36 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 124.932 1.293 . . . . 0.0 112.863 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.65 -43.92 93.74 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.214 -0.929 . . . . 0.0 111.617 172.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.7 m -62.4 -41.26 98.53 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.616 -1.302 . . . . 0.0 114.481 171.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.74 -44.42 96.95 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.218 -1.551 . . . . 0.0 113.666 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.63 -39.46 81.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 C-N-CA 124.361 1.064 . . . . 0.0 111.32 173.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -90.76 23.09 3.24 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.738 -1.226 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt 58.86 40.7 22.46 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 126.342 1.857 . . . . 0.0 115.718 169.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 102.08 -6.48 0.02 OUTLIER 'General case' 0 C--N 1.351 0.655 0 C-N-CA 131.286 3.835 . . . . 0.0 111.704 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 31.3 p . . . . . 0 C--N 1.353 0.752 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -172.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.0 p90 . . . . . 0 N--CA 1.438 -1.047 0 CA-C-O 122.177 0.989 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.0 mt 46.88 54.91 15.89 Favored Pre-proline 0 C--N 1.351 0.668 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 176.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.24 -7.83 22.17 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.374 2.716 . . . . 0.0 112.236 -169.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm -59.33 -41.1 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 125.885 1.674 . . . . 0.0 110.998 168.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.39 -45.69 92.02 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.115 -0.991 . . . . 0.0 112.775 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.41 99.3 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 122.344 1.069 . . . . 0.0 112.527 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.8 t -62.09 -44.55 96.42 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.344 -1.472 . . . . 0.0 113.355 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.95 -43.26 99.28 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.885 1.274 . . . . 0.0 113.026 173.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.77 90.92 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.448 1.099 . . . . 0.0 112.676 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.02 91.07 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.421 -1.425 . . . . 0.0 114.41 171.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -73.38 -45.91 52.07 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.478 -2.014 . . . . 0.0 113.295 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -114.98 -11.97 12.07 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -163.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.11 -57.35 9.0 Favored Glycine 0 C--N 1.348 1.237 0 N-CA-C 117.606 1.803 . . . . 0.0 117.606 -176.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -72.93 -6.5 19.11 Favored 'Trans proline' 0 C--N 1.333 -0.286 0 CA-C-N 121.901 2.851 . . . . 0.0 112.38 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -99.3 -11.47 21.22 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 118.981 0.81 . . . . 0.0 110.231 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.79 -43.87 97.67 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 125.425 1.49 . . . . 0.0 111.952 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -59.97 -41.94 93.06 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 125.161 1.384 . . . . 0.0 111.932 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.7 m -63.5 -45.57 90.08 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.95 -1.094 . . . . 0.0 113.41 170.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.39 -43.05 97.03 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.557 -1.339 . . . . 0.0 113.725 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.92 -40.86 84.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 122.254 1.026 . . . . 0.0 111.271 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -85.98 34.04 0.61 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.287 -1.508 . . . . 0.0 111.6 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt 73.32 15.68 4.27 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 119.487 -2.008 . . . . 0.0 114.539 167.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm 100.18 3.7 0.02 OUTLIER 'General case' 0 C--N 1.35 0.628 1 C-N-CA 131.971 4.108 . . . . 0.0 111.505 -175.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.281 22.0 p . . . . . 0 C--N 1.353 0.734 0 C-N-CA 126.768 2.027 . . . . 0.0 115.897 -172.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 N--CA 1.439 -0.998 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.79 138.54 97.01 Favored Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 120.187 -1.57 . . . . 0.0 113.642 -176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.75 -6.02 18.26 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.466 2.777 . . . . 0.0 111.966 -174.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.49 -41.77 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 126.01 1.724 . . . . 0.0 110.488 169.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.06 -43.86 97.43 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 123.994 0.917 . . . . 0.0 113.015 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.97 98.82 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 122.223 1.011 . . . . 0.0 112.676 172.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.738 -1.226 . . . . 0.0 113.692 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.06 -44.05 90.26 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.907 -1.121 . . . . 0.0 113.07 170.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.76 96.09 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.823 1.249 . . . . 0.0 113.716 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.65 98.56 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.564 -1.335 . . . . 0.0 114.024 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -71.99 -45.38 61.17 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -107.36 -14.56 14.84 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.826 -1.171 . . . . 0.0 113.156 -168.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.61 -54.0 11.87 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 117.393 1.717 . . . . 0.0 117.393 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.29 -7.0 20.41 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 CA-C-N 122.714 3.257 . . . . 0.0 112.398 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -108.1 -3.9 18.22 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 119.263 0.938 . . . . 0.0 111.998 173.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.16 -44.9 90.69 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.475 -1.39 . . . . 0.0 111.175 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -59.77 -40.25 87.56 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.611 1.564 . . . . 0.0 111.897 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.5 m -63.61 -45.37 90.63 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.011 -1.056 . . . . 0.0 113.56 171.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.62 -42.92 97.8 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.751 -1.218 . . . . 0.0 113.378 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.48 -43.64 97.17 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-O 122.229 1.014 . . . . 0.0 111.507 170.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -87.38 48.02 1.59 Allowed 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.133 -1.604 . . . . 0.0 111.776 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.8 tttt 64.99 24.38 12.63 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.063 -1.648 . . . . 0.0 115.14 169.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 83.55 8.16 0.63 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 129.098 2.959 . . . . 0.0 112.367 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.267 19.1 p . . . . . 0 C--N 1.352 0.712 0 C-N-CA 127.976 2.51 . . . . 0.0 116.557 -171.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.27 -8.53 22.9 Favored 'Trans proline' 0 C--N 1.351 0.702 1 CA-C-N 129.284 4.351 . . . . 0.0 112.976 -168.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.67 -41.02 88.77 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 125.772 1.629 . . . . 0.0 110.943 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.65 -43.67 96.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.397 -1.439 . . . . 0.0 111.038 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.8 92.4 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -65.35 -42.62 92.63 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.285 -1.51 . . . . 0.0 113.42 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.82 -46.19 89.12 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.057 -1.027 . . . . 0.0 112.906 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.46 96.91 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 119.851 -1.78 . . . . 0.0 113.109 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.85 -13.9 60.62 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.335 -1.478 . . . . 0.0 114.563 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -18.28 7.08 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.957 -1.714 . . . . 0.0 113.341 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -120.56 -8.57 9.53 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 119.99 -1.694 . . . . 0.0 112.799 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.29 -54.71 11.95 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 173.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.74 -18.86 24.7 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 CA-C-N 122.082 2.941 . . . . 0.0 111.917 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -69.58 -42.62 74.23 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 119.336 0.971 . . . . 0.0 111.516 169.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.89 -47.05 86.3 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 126.123 1.769 . . . . 0.0 113.828 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -61.36 -42.52 98.84 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.075 -1.016 . . . . 0.0 112.579 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 m -66.3 -37.74 86.11 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 171.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.04 -42.52 99.26 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 120.956 -1.09 . . . . 0.0 113.322 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.77 -43.76 92.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.29 1.036 . . . . 0.0 111.445 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -80.79 50.59 1.37 Allowed 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.367 -1.458 . . . . 0.0 111.578 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? 56.62 38.18 29.39 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 128.06 2.544 . . . . 0.0 114.253 170.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.82 69.81 0.71 Allowed 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.757 -1.215 . . . . 0.0 113.689 -170.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.24 0.576 0 O-C-N 120.088 -1.632 . . . . 0.0 114.326 176.895 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.56 -9.43 25.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 CA-C-N 124.42 2.614 . . . . 0.0 111.474 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 4' ' ' ILE . 3.7 mp -59.12 -41.54 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 126.055 1.742 . . . . 0.0 111.159 171.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.0 -46.86 87.37 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.236 -0.915 . . . . 0.0 112.966 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.33 99.1 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.369 1.081 . . . . 0.0 112.676 173.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t -61.17 -44.05 97.91 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.822 -1.174 . . . . 0.0 113.322 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.7 -45.74 77.84 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.296 1.039 . . . . 0.0 113.373 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.24 93.87 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.83 -1.169 . . . . 0.0 113.293 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.81 -33.49 71.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -99.22 -6.98 27.15 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.127 -1.608 . . . . 0.0 112.879 -174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -143.68 -2.49 0.95 Allowed 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -172.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.86 -57.07 8.03 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 118.211 2.044 . . . . 0.0 118.211 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -75.73 -24.11 12.01 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 CA-C-N 122.124 2.962 . . . . 0.0 110.681 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -65.86 -38.79 89.76 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.741 0.817 . . . . 0.0 111.723 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.87 -44.35 97.18 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 125.234 1.414 . . . . 0.0 112.338 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.92 -43.71 94.73 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 122.241 1.019 . . . . 0.0 111.83 173.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.6 m -61.55 -44.41 97.09 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.454 -1.404 . . . . 0.0 113.949 170.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.64 -42.18 96.44 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.144 -1.597 . . . . 0.0 114.06 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.36 -39.49 79.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 122.461 1.124 . . . . 0.0 111.031 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -85.73 28.38 0.78 Allowed 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.592 -1.318 . . . . 0.0 111.519 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt 63.15 32.63 15.0 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 119.275 -2.141 . . . . 0.0 114.957 172.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 89.16 11.38 0.08 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 131.334 3.854 . . . . 0.0 112.034 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.259 32.1 p . . . . . 0 C--N 1.352 0.702 0 C-N-CA 126.864 2.065 . . . . 0.0 116.167 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.72 -5.22 15.65 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.87 3.046 . . . . 0.0 113.042 -170.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.1 mm -58.63 -40.54 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 125.529 1.532 . . . . 0.0 110.835 167.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.7 tp -62.39 -43.3 99.14 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 121.096 -1.003 . . . . 0.0 112.856 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.38 99.31 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.011 -1.056 . . . . 0.0 112.892 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.0 t -62.35 -44.29 96.83 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.699 -1.251 . . . . 0.0 113.17 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.29 -45.09 94.81 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.405 -1.434 . . . . 0.0 112.941 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.68 -46.28 90.39 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 119.751 -1.843 . . . . 0.0 113.084 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.23 94.9 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -110.32 -10.52 14.6 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.269 -1.519 . . . . 0.0 113.351 -172.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -122.27 -7.82 8.73 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 119.844 -1.785 . . . . 0.0 112.222 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.67 -56.9 9.04 Favored Glycine 0 C--N 1.352 1.424 0 N-CA-C 118.023 1.969 . . . . 0.0 118.023 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -69.18 -29.41 26.7 Favored 'Trans proline' 0 CA--C 1.517 -0.329 0 CA-C-N 122.098 2.949 . . . . 0.0 111.437 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -64.81 -39.7 94.01 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 121.741 -0.599 . . . . 0.0 112.137 174.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.02 -43.3 99.08 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 126.274 1.83 . . . . 0.0 112.406 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.25 -44.21 92.39 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.921 -1.112 . . . . 0.0 111.791 173.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.06 -39.33 94.4 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 172.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.1 -44.66 88.11 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.79 -1.194 . . . . 0.0 114.158 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.52 -42.93 97.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.778 -1.201 . . . . 0.0 111.578 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -61.35 -46.1 91.65 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.889 -1.132 . . . . 0.0 111.631 171.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 93.87 88.92 0.01 OUTLIER 'General case' 0 C--N 1.349 0.56 0 C-N-CA 130.42 3.488 . . . . 0.0 109.663 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt 62.3 51.32 3.47 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.933 1.293 . . . . 0.0 114.001 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.353 0.719 0 N-CA-C 115.535 1.679 . . . . 0.0 115.535 -176.779 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.01 -2.67 10.05 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 124.315 3.343 . . . . 0.0 113.168 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.05 -40.98 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 126.103 1.761 . . . . 0.0 111.16 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.1 mt -62.35 -44.48 96.38 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.934 -1.104 . . . . 0.0 113.462 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.63 99.59 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 121.014 -1.054 . . . . 0.0 112.588 173.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 t -60.97 -44.77 96.85 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.886 -1.133 . . . . 0.0 112.841 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.83 -46.38 82.19 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.623 -1.298 . . . . 0.0 113.151 171.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.22 95.32 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.526 -1.359 . . . . 0.0 113.75 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.36 98.58 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -104.39 -2.91 24.78 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.291 -1.506 . . . . 0.0 113.224 -171.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -140.48 -3.29 1.34 Allowed 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.897 -1.127 . . . . 0.0 113.865 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.59 -56.12 10.06 Favored Glycine 0 C--N 1.35 1.326 0 N-CA-C 118.215 2.046 . . . . 0.0 118.215 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -69.85 -27.74 25.67 Favored 'Trans proline' 0 CA--C 1.518 -0.302 0 CA-C-N 122.146 2.973 . . . . 0.0 111.679 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -65.93 -42.26 90.29 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 121.671 -0.643 . . . . 0.0 111.478 173.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.8 -42.32 98.86 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 125.543 1.537 . . . . 0.0 112.887 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.08 -44.35 91.89 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 122.007 0.908 . . . . 0.0 111.87 172.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.9 m -62.66 -36.1 81.77 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 171.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.6 mt -59.77 -33.74 72.07 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.529 -1.357 . . . . 0.0 114.226 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.18 -39.15 57.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 C-N-CA 124.783 1.233 . . . . 0.0 112.348 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -90.82 13.88 15.15 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.406 -1.434 . . . . 0.0 111.162 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt 63.43 45.51 4.8 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.912 1.685 . . . . 0.0 111.933 -175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.319 0.0 OUTLIER 77.94 111.1 0.07 Allowed 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.859 2.064 . . . . 0.0 110.216 -171.481 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 C--N 1.347 0.489 0 O-C-N 120.308 -1.495 . . . . 0.0 112.632 -178.713 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -70.66 -5.99 18.03 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.63 2.887 . . . . 0.0 112.403 -171.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.0 mm -58.35 -41.77 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 125.801 1.64 . . . . 0.0 110.828 168.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.45 -43.85 96.21 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.727 1.211 . . . . 0.0 112.271 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.16 99.23 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.967 -1.083 . . . . 0.0 112.713 173.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t -61.81 -42.99 99.71 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.706 -1.246 . . . . 0.0 113.377 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.3 -43.17 98.6 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.566 1.147 . . . . 0.0 113.069 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.27 97.87 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 121.014 -1.054 . . . . 0.0 113.638 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.64 98.43 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.516 -1.365 . . . . 0.0 113.816 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -68.26 -46.67 69.8 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.045 -1.66 . . . . 0.0 113.856 176.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -117.86 -9.25 10.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -163.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.41 -59.52 7.68 Favored Glycine 0 C--N 1.348 1.25 0 N-CA-C 118.383 2.113 . . . . 0.0 118.383 -173.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -80.41 -17.18 10.32 Favored 'Trans proline' 0 CA--C 1.515 -0.459 0 CA-C-N 121.627 2.714 . . . . 0.0 109.888 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -67.62 -41.79 83.36 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.117 0.967 . . . . 0.0 110.415 174.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.14 -41.32 92.48 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.453 2.301 . . . . 0.0 112.714 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -58.32 -44.88 88.83 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-O 122.176 0.989 . . . . 0.0 111.713 174.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 m -66.19 -38.56 88.32 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.12 -43.59 98.65 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.493 -1.38 . . . . 0.0 113.535 174.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.55 -40.72 85.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 124.807 1.243 . . . . 0.0 111.074 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -82.19 44.29 0.85 Allowed 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.551 -1.343 . . . . 0.0 111.379 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 59.74 39.02 21.38 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.464 2.306 . . . . 0.0 114.947 172.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt 60.66 56.37 3.04 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.162 1.385 . . . . 0.0 113.475 -175.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.35 0.609 0 O-C-N 120.284 -1.51 . . . . 0.0 114.193 178.595 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.19 -7.02 20.48 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.067 2.511 . . . . 0.0 111.952 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.4 mp -58.39 -42.95 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 126.129 1.772 . . . . 0.0 111.136 173.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.39 -45.55 92.63 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.06 -1.025 . . . . 0.0 112.581 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.5 99.54 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.878 -1.139 . . . . 0.0 112.793 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -60.87 -44.87 96.46 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.822 -1.174 . . . . 0.0 112.933 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.25 -45.22 85.48 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 121.163 -0.961 . . . . 0.0 113.007 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.39 97.07 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.03 99.75 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.567 -1.333 . . . . 0.0 114.093 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -77.06 -45.66 26.32 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 119.954 -1.716 . . . . 0.0 114.101 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -116.68 -12.83 10.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -164.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.76 -56.85 18.38 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 120.442 -1.411 . . . . 0.0 116.056 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -69.54 -3.62 12.23 Favored 'Trans proline' 0 C--N 1.331 -0.388 0 CA-C-N 121.171 2.486 . . . . 0.0 113.218 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -100.93 -9.3 21.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 119.362 0.983 . . . . 0.0 110.107 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.13 -42.06 98.87 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 125.554 1.542 . . . . 0.0 112.351 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -58.95 -41.02 86.43 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.27 1.428 . . . . 0.0 112.026 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.1 m -65.94 -40.62 91.52 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 171.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.17 -45.51 91.46 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.335 -1.478 . . . . 0.0 113.248 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.95 -37.42 77.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 C-N-CA 125.274 1.43 . . . . 0.0 112.657 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -93.22 6.34 48.39 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 120.368 -1.457 . . . . 0.0 112.918 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.7 tttt 59.4 50.55 7.52 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.892 1.277 . . . . 0.0 112.572 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 83.36 112.31 0.06 Allowed 'General case' 0 C--N 1.351 0.661 0 C-N-CA 128.603 2.761 . . . . 0.0 111.125 -171.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.349 0.565 0 O-C-N 120.569 -1.332 . . . . 0.0 112.249 -179.306 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.51 -5.9 17.74 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.594 2.863 . . . . 0.0 112.083 -176.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -58.38 -41.63 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 126.113 1.765 . . . . 0.0 110.445 167.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.42 -44.76 95.65 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.397 1.079 . . . . 0.0 112.785 177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.71 99.77 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-O 122.248 1.023 . . . . 0.0 112.676 173.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -62.31 -44.09 97.33 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.376 -1.453 . . . . 0.0 113.148 174.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.39 -44.42 96.49 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 124.464 1.105 . . . . 0.0 112.808 173.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.27 87.94 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.66 1.184 . . . . 0.0 113.024 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.42 89.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.614 -1.304 . . . . 0.0 114.443 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -75.44 -44.64 43.24 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.59 -1.944 . . . . 0.0 112.675 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.44 -15.66 14.75 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -160.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.97 -56.81 19.04 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 119.905 -1.747 . . . . 0.0 114.237 169.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.18 52.78 4.42 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.74 2.293 . . . . 0.0 110.835 167.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -145.09 -57.86 0.34 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 128.688 2.795 . . . . 0.0 104.541 166.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -52.28 -41.9 63.27 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 128.483 2.713 . . . . 0.0 114.234 -173.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -56.15 -40.84 74.48 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 122.12 0.962 . . . . 0.0 112.585 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.9 m -78.94 -17.78 54.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 120.221 -1.549 . . . . 0.0 113.755 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.37 -19.33 50.45 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 120.632 -1.293 . . . . 0.0 112.534 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.75 -39.61 77.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.662 1.185 . . . . 0.0 111.184 171.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 15.57 8.41 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.462 -1.399 . . . . 0.0 111.471 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.13 41.43 6.27 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 125.954 1.702 . . . . 0.0 111.977 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp 82.71 93.39 0.04 OUTLIER 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.33 2.652 . . . . 0.0 111.381 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.348 0.53 0 O-C-N 120.597 -1.314 . . . . 0.0 113.206 170.258 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -66.36 -3.77 9.45 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.127 1.885 . . . . 0.0 113.072 166.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm -60.07 -45.84 95.1 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 C-N-CA 125.013 1.325 . . . . 0.0 111.694 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.16 -42.52 99.34 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.823 -1.173 . . . . 0.0 113.718 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.28 98.61 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.893 -1.129 . . . . 0.0 112.832 173.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -61.53 -45.08 95.71 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.641 -1.287 . . . . 0.0 112.756 174.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.48 -43.53 98.58 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.611 -1.306 . . . . 0.0 113.035 173.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.57 97.11 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 121.124 -0.985 . . . . 0.0 113.559 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.87 94.85 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.635 -1.291 . . . . 0.0 113.977 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -68.41 -44.69 74.49 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.919 -1.738 . . . . 0.0 114.269 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -118.9 -9.8 10.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -164.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.33 -58.7 6.32 Favored Glycine 0 N--CA 1.475 1.284 0 N-CA-C 118.998 2.359 . . . . 0.0 118.998 -170.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -78.4 -20.34 11.08 Favored 'Trans proline' 0 CA--C 1.515 -0.425 0 CA-C-N 121.934 2.867 . . . . 0.0 110.376 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -69.46 -42.17 75.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.964 0.905 . . . . 0.0 110.858 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.5 -43.18 99.32 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 127.047 2.139 . . . . 0.0 112.012 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -58.41 -44.06 88.88 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.995 0.918 . . . . 0.0 112.036 173.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 m -62.81 -33.69 75.75 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -70.0 -20.43 63.29 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.536 -1.352 . . . . 0.0 114.147 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.09 -39.17 71.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.299 1.04 . . . . 0.0 111.738 173.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -89.75 18.66 5.35 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.399 -1.438 . . . . 0.0 111.342 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt 65.67 39.77 4.72 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 126.537 1.935 . . . . 0.0 112.428 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 81.7 98.85 0.05 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 127.022 2.129 . . . . 0.0 109.875 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.347 0.482 0 O-C-N 120.632 -1.293 . . . . 0.0 114.146 178.3 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -67.3 -5.02 12.84 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 O-C-N 117.209 -2.048 . . . . 0.0 112.766 168.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.76 -49.94 82.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 125.114 1.366 . . . . 0.0 111.484 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.7 -40.68 95.77 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.04 -1.037 . . . . 0.0 113.096 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.09 96.05 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.99 -1.069 . . . . 0.0 112.846 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.3 t -63.66 -44.18 94.55 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.31 -1.494 . . . . 0.0 113.341 172.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.78 -44.99 95.8 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.675 -1.266 . . . . 0.0 112.992 174.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -45.21 95.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 120.585 -1.322 . . . . 0.0 113.093 175.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.28 99.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -96.7 -7.99 32.6 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 119.892 -1.755 . . . . 0.0 112.943 -175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -139.81 -4.09 1.41 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.97 -56.11 9.25 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 118.291 2.076 . . . . 0.0 118.291 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -71.31 -26.81 20.3 Favored 'Trans proline' 0 CA--C 1.517 -0.35 0 CA-C-N 122.227 3.014 . . . . 0.0 111.644 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -66.21 -43.21 87.36 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 121.7 -0.625 . . . . 0.0 111.303 173.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.28 -44.37 97.35 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.901 1.68 . . . . 0.0 111.99 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.02 -44.59 91.73 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 124.142 0.977 . . . . 0.0 112.11 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.6 m -63.1 -34.09 76.86 Favored 'General case' 0 C--N 1.346 0.44 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 171.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.5 -20.66 63.71 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.666 -1.271 . . . . 0.0 114.097 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.19 -39.13 72.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 C-N-CA 124.238 1.015 . . . . 0.0 111.66 172.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -90.81 16.36 9.48 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.443 -1.411 . . . . 0.0 111.212 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt 64.96 40.67 5.13 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 126.37 1.868 . . . . 0.0 112.565 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 83.2 99.57 0.05 OUTLIER 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.187 2.195 . . . . 0.0 109.674 -176.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 C--N 1.347 0.49 0 O-C-N 120.652 -1.28 . . . . 0.0 114.152 178.417 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.64 -5.2 14.75 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.774 2.983 . . . . 0.0 112.612 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.0 -41.48 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 126.306 1.842 . . . . 0.0 110.617 166.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.29 -45.58 92.62 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 124.394 1.077 . . . . 0.0 113.058 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.89 98.87 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.028 -1.045 . . . . 0.0 112.487 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 t -61.63 -43.5 98.74 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.767 -1.208 . . . . 0.0 113.353 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.5 -42.67 98.5 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.798 -1.189 . . . . 0.0 113.181 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.2 97.51 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 121.049 -1.032 . . . . 0.0 113.321 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.05 99.76 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.639 -1.288 . . . . 0.0 113.723 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -65.88 -43.92 86.86 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.084 -1.635 . . . . 0.0 114.371 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -121.18 -9.65 9.1 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -165.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.3 -59.44 5.21 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 119.745 2.658 . . . . 0.0 119.745 -168.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -79.61 -22.45 7.87 Favored 'Trans proline' 0 CA--C 1.516 -0.413 0 CA-C-N 122.378 3.089 . . . . 0.0 109.991 -177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -68.28 -40.33 81.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.952 1.301 . . . . 0.0 110.647 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -61.38 -43.68 98.46 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 126.672 1.989 . . . . 0.0 112.325 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -59.41 -43.62 93.0 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.933 -1.104 . . . . 0.0 111.808 173.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.9 m -63.06 -39.6 95.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 120.243 -1.536 . . . . 0.0 115.07 170.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.28 -42.73 99.6 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.17 1.35 . . . . 0.0 113.657 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.64 -39.32 79.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.821 1.249 . . . . 0.0 111.01 171.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -81.33 38.79 0.5 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.582 -1.324 . . . . 0.0 111.559 174.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? 56.05 38.82 30.32 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 128.416 2.686 . . . . 0.0 114.448 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.71 74.08 0.44 Allowed 'General case' 0 C--N 1.347 0.477 0 C-N-CA 124.798 1.239 . . . . 0.0 112.316 -171.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.8 p . . . . . 0 C--O 1.24 0.558 0 CA-C-O 123.162 1.458 . . . . 0.0 114.293 176.608 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.69 -6.4 18.97 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.321 2.681 . . . . 0.0 111.426 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.28 -42.4 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 126.921 2.088 . . . . 0.0 110.735 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.55 -45.34 93.4 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.125 -0.985 . . . . 0.0 113.101 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.34 99.69 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.377 1.084 . . . . 0.0 112.426 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -62.15 -44.69 96.07 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.349 -1.47 . . . . 0.0 113.283 174.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.87 -43.29 99.2 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.796 1.238 . . . . 0.0 112.997 173.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.77 90.6 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.318 1.047 . . . . 0.0 112.674 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.86 91.16 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.344 -1.472 . . . . 0.0 114.489 171.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -73.43 -45.09 56.48 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.441 -2.037 . . . . 0.0 113.518 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -112.69 -12.57 13.37 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -164.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.68 -56.28 9.95 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 117.377 1.711 . . . . 0.0 117.377 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -72.25 -5.68 17.61 Favored 'Trans proline' 0 C--N 1.332 -0.323 0 CA-C-N 122.039 2.919 . . . . 0.0 112.788 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -101.39 -12.12 18.85 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 119.193 0.906 . . . . 0.0 110.313 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.22 -39.4 90.13 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.565 1.946 . . . . 0.0 112.197 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -56.48 -37.23 70.06 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.67 1.588 . . . . 0.0 112.54 174.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.2 m -92.41 -11.59 34.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.75 -1.218 . . . . 0.0 112.945 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.94 -41.14 71.53 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.371 -1.456 . . . . 0.0 110.956 161.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.99 -54.08 30.91 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 120.496 -1.377 . . . . 0.0 111.341 169.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -102.08 68.48 1.11 Allowed 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 124.474 1.109 . . . . 0.0 109.461 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 16.15 72.02 0.01 OUTLIER 'General case' 0 C--N 1.352 0.679 0 C-N-CA 130.564 3.546 . . . . 0.0 118.264 166.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? 59.71 50.98 6.58 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.346 0.427 0 O-C-N 120.727 -1.233 . . . . 0.0 113.579 171.811 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -67.86 -1.94 7.76 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 124.564 3.509 . . . . 0.0 113.187 -174.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.8 mt -55.92 -41.01 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 126.524 1.93 . . . . 0.0 110.588 168.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.93 -43.48 98.75 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 121.06 -1.025 . . . . 0.0 113.727 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.16 98.77 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.778 -1.201 . . . . 0.0 112.474 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t -61.68 -43.97 97.85 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.6 -1.313 . . . . 0.0 113.166 173.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.19 -40.49 97.67 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.896 1.278 . . . . 0.0 113.077 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.93 95.89 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.679 -1.263 . . . . 0.0 113.412 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.73 87.49 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.118 -1.614 . . . . 0.0 113.815 172.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -64.63 -46.56 82.07 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.288 -1.507 . . . . 0.0 113.832 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -126.71 -26.69 3.19 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 120.845 -1.159 . . . . 0.0 113.422 -166.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.77 -57.77 5.83 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 119.206 2.443 . . . . 0.0 119.206 -170.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -75.67 -6.23 17.36 Favored 'Trans proline' 0 CA--C 1.517 -0.361 0 CA-C-N 123.157 3.479 . . . . 0.0 111.901 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -102.22 -15.97 16.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.33 1.052 . . . . 0.0 109.182 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.01 -39.45 92.28 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.796 2.438 . . . . 0.0 112.465 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -57.91 -41.67 83.12 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.45 1.1 . . . . 0.0 112.339 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 m -75.77 -25.09 56.14 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.483 -1.386 . . . . 0.0 114.247 173.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.19 -42.0 96.86 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 120.097 1.317 . . . . 0.0 112.399 169.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.98 -42.96 91.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 C-N-CA 124.755 1.222 . . . . 0.0 111.554 172.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -81.11 40.89 0.56 Allowed 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.272 -1.518 . . . . 0.0 111.953 174.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt 56.91 45.76 20.81 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 127.789 2.436 . . . . 0.0 115.619 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt 62.0 55.61 2.5 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 125.546 1.539 . . . . 0.0 113.607 -176.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 C--N 1.349 0.586 0 O-C-N 120.391 -1.443 . . . . 0.0 113.633 177.103 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -71.51 -6.3 18.87 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.507 2.805 . . . . 0.0 111.851 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.68 -41.76 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 125.842 1.657 . . . . 0.0 110.505 168.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.31 -43.3 98.22 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.088 -1.008 . . . . 0.0 112.954 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.0 98.4 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.226 1.01 . . . . 0.0 112.428 172.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -61.87 -44.59 96.52 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.517 -1.364 . . . . 0.0 113.262 173.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.09 -45.39 92.3 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.612 -1.305 . . . . 0.0 112.672 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.35 -43.91 98.08 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.375 1.07 . . . . 0.0 113.671 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.33 99.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 120.505 -1.372 . . . . 0.0 114.272 176.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -43.66 21.27 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.555 -1.341 . . . . 0.0 113.305 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -105.78 -14.32 15.27 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.539 -1.351 . . . . 0.0 113.145 -169.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.69 -53.07 14.01 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 125.591 1.567 . . . . 0.0 116.956 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -69.28 -3.94 12.7 Favored 'Trans proline' 0 C--O 1.235 0.372 0 CA-C-N 122.408 3.104 . . . . 0.0 113.01 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -111.47 -3.61 15.13 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.846 -1.159 . . . . 0.0 111.962 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.47 -44.3 91.49 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.446 -1.409 . . . . 0.0 112.378 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.59 -39.65 84.86 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.296 1.038 . . . . 0.0 111.802 172.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.99 -42.9 97.05 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.727 -1.233 . . . . 0.0 113.487 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.67 -43.71 97.33 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.738 -1.226 . . . . 0.0 113.058 177.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.03 -45.01 99.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-O 122.143 0.973 . . . . 0.0 111.833 171.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m -89.01 46.48 1.39 Allowed 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.08 -1.638 . . . . 0.0 111.879 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.2 tttt 59.92 33.73 21.55 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 168.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 84.03 2.53 0.88 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 129.302 3.041 . . . . 0.0 112.968 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.263 20.0 p . . . . . 0 C--N 1.352 0.702 0 C-N-CA 127.521 2.329 . . . . 0.0 116.792 -171.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -71.65 -5.16 16.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.601 2.867 . . . . 0.0 112.307 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.25 -41.3 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 127.347 2.259 . . . . 0.0 111.509 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.02 -43.89 97.47 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.344 -1.473 . . . . 0.0 111.993 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.33 94.26 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.986 -1.071 . . . . 0.0 113.698 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.4 p -65.84 -45.22 83.0 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.299 -1.5 . . . . 0.0 113.524 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.67 -46.12 80.32 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 174.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.2 93.93 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.825 -1.797 . . . . 0.0 113.122 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.13 92.52 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -103.51 -13.03 16.75 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.037 -1.665 . . . . 0.0 112.465 -171.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -124.85 -3.06 7.73 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 119.89 -1.756 . . . . 0.0 112.885 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.51 -55.1 11.37 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 117.679 1.832 . . . . 0.0 117.679 173.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.72 -28.39 37.14 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 CA-C-N 121.917 2.858 . . . . 0.0 112.049 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -65.34 -41.64 93.73 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 118.84 0.745 . . . . 0.0 111.971 173.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.11 -42.97 99.5 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.866 1.667 . . . . 0.0 112.271 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.39 -45.28 88.65 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.145 -0.972 . . . . 0.0 111.923 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.8 m -63.23 -37.9 89.06 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 171.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.59 -40.16 93.78 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.41 -1.431 . . . . 0.0 113.239 174.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.3 t -58.96 -36.81 63.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 C-N-CA 124.574 1.15 . . . . 0.0 112.055 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -17.69 61.89 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.9 -1.75 . . . . 0.0 113.35 174.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? 72.35 45.01 0.38 Allowed 'General case' 0 C--N 1.353 0.73 0 C-N-CA 126.876 2.07 . . . . 0.0 111.316 -167.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 86.68 101.94 0.04 OUTLIER 'General case' 0 C--N 1.351 0.64 0 C-N-CA 128.299 2.64 . . . . 0.0 109.583 -175.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.347 0.496 0 O-C-N 120.728 -1.232 . . . . 0.0 113.418 179.832 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.41 -5.08 16.26 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.482 2.788 . . . . 0.0 111.819 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.9 mm -58.04 -42.43 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 126.825 2.05 . . . . 0.0 111.625 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.8 -46.32 90.03 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 121.109 -0.994 . . . . 0.0 112.509 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.21 98.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.912 -1.118 . . . . 0.0 112.654 174.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.3 t -60.83 -44.32 97.1 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.936 -1.103 . . . . 0.0 113.053 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.85 -44.81 80.05 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.234 1.013 . . . . 0.0 113.319 171.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.4 97.18 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.51 1.124 . . . . 0.0 114.006 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.97 98.24 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.43 -1.419 . . . . 0.0 113.746 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -72.65 -48.56 38.33 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.139 -1.6 . . . . 0.0 113.442 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -113.05 -18.19 12.24 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -164.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.79 -55.91 20.97 Favored Glycine 0 C--N 1.348 1.218 0 O-C-N 120.501 -1.374 . . . . 0.0 115.86 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -69.35 -3.26 11.38 Favored 'Trans proline' 0 C--N 1.331 -0.394 0 CA-C-N 121.218 2.509 . . . . 0.0 113.522 173.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -100.86 -13.01 18.55 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.959 1.254 . . . . 0.0 110.389 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.89 -42.82 99.52 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.857 1.663 . . . . 0.0 112.426 -171.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -58.98 -41.6 87.97 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.958 1.303 . . . . 0.0 112.161 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.3 m -66.66 -39.23 88.11 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.31 -45.39 88.12 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.976 -1.077 . . . . 0.0 113.31 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.22 -36.23 71.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 C-N-CA 125.434 1.494 . . . . 0.0 112.09 176.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 p -90.18 12.79 16.91 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 120.496 -1.377 . . . . 0.0 112.256 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.254 1.9 tmtm? 73.96 24.14 2.09 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.792 1.237 . . . . 0.0 112.869 163.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 96.5 92.9 0.01 OUTLIER 'General case' 0 C--N 1.352 0.695 0 C-N-CA 130.958 3.703 . . . . 0.0 109.848 -177.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--N 1.35 0.623 0 CA-C-O 122.714 1.245 . . . . 0.0 114.219 177.297 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -64.25 -1.02 3.27 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.997 2.465 . . . . 0.0 114.485 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.7 -39.33 76.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 C-N-CA 125.997 1.719 . . . . 0.0 111.242 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.32 -44.38 95.52 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.085 -1.635 . . . . 0.0 112.995 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.0 94.06 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.969 -1.082 . . . . 0.0 113.661 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.3 p -65.34 -43.43 90.95 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.418 -1.426 . . . . 0.0 113.379 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.86 -49.58 67.61 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.914 -1.116 . . . . 0.0 113.325 172.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.02 90.93 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.587 -1.945 . . . . 0.0 113.736 -177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.44 15.24 12.68 Favored 'General case' 0 N--CA 1.446 -0.634 0 O-C-N 120.271 -1.518 . . . . 0.0 112.836 -172.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.6 -27.55 1.03 Allowed 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.697 -1.252 . . . . 0.0 111.795 168.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -118.27 -5.96 10.85 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.437 -1.415 . . . . 0.0 113.336 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.52 -55.58 9.16 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 118.054 1.982 . . . . 0.0 118.054 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -74.44 -22.19 16.4 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 CA-C-N 121.951 2.875 . . . . 0.0 111.323 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -67.68 -43.49 80.04 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 118.725 0.693 . . . . 0.0 111.009 172.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.22 -44.18 97.69 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.177 1.791 . . . . 0.0 112.046 175.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.58 -44.44 89.8 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.156 0.982 . . . . 0.0 112.17 173.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.8 m -63.55 -33.27 75.21 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 171.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.0 mt -70.01 -20.57 63.27 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.662 -1.274 . . . . 0.0 114.102 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.15 -39.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 124.254 1.022 . . . . 0.0 111.686 173.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.26 16.87 7.85 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.405 -1.434 . . . . 0.0 111.337 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt 65.1 40.78 4.88 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 126.332 1.853 . . . . 0.0 112.441 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 82.93 99.57 0.05 OUTLIER 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.099 2.16 . . . . 0.0 109.72 -176.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 C--N 1.347 0.457 0 O-C-N 120.693 -1.254 . . . . 0.0 114.208 178.604 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.72 -5.91 17.32 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 123.326 2.684 . . . . 0.0 112.458 -174.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.7 mt -59.52 -40.98 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 126.928 2.091 . . . . 0.0 111.01 168.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.08 -45.89 90.01 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.514 -1.366 . . . . 0.0 111.506 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.3 91.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.083 0.953 . . . . 0.0 113.381 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 p -64.1 -42.62 96.82 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.361 -1.462 . . . . 0.0 113.591 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.89 -42.78 89.84 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 126.05 1.74 . . . . 0.0 113.951 170.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.09 85.38 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.074 -1.641 . . . . 0.0 111.762 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.8 23.99 0.31 Allowed 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.871 -1.143 . . . . 0.0 114.062 172.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -130.08 -34.35 1.68 Allowed 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.036 -1.665 . . . . 0.0 109.871 161.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -111.61 -4.5 14.73 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.5 -56.98 6.85 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 118.397 2.119 . . . . 0.0 118.397 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -78.23 -21.63 10.37 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 CA-C-N 122.099 2.949 . . . . 0.0 110.715 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -66.92 -38.94 87.13 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.478 0.711 . . . . 0.0 111.444 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.31 -43.19 96.56 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.119 1.768 . . . . 0.0 112.296 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -59.09 -44.55 91.94 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.957 -1.089 . . . . 0.0 111.632 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.43 -36.75 85.17 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 172.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.15 -43.06 99.36 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.44 1.473 . . . . 0.0 113.334 170.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.62 -35.15 57.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 120.529 -1.357 . . . . 0.0 111.702 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 m -91.44 2.01 56.72 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 125.518 1.527 . . . . 0.0 111.341 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.251 6.2 mptt 62.35 52.7 2.99 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.85 1.66 . . . . 0.0 115.097 177.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt 85.58 58.45 0.01 OUTLIER 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.282 1.833 . . . . 0.0 112.419 172.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.7 p . . . . . 0 C--N 1.351 0.67 0 O-C-N 120.228 -1.545 . . . . 0.0 112.622 171.465 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.62 -7.19 20.75 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.02 2.48 . . . . 0.0 111.841 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp -58.21 -41.53 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 126.16 1.784 . . . . 0.0 111.113 172.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.07 -46.05 90.82 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.097 -1.002 . . . . 0.0 113.204 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.83 97.88 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.229 1.014 . . . . 0.0 112.616 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.7 t -61.41 -44.23 97.5 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.899 -1.126 . . . . 0.0 113.117 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.91 -47.3 78.27 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.225 -0.922 . . . . 0.0 112.89 171.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.36 93.64 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.996 -1.065 . . . . 0.0 113.544 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.64 -35.65 74.82 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.97 -1.081 . . . . 0.0 113.797 175.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -101.09 8.19 42.94 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.401 -1.437 . . . . 0.0 112.901 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -138.47 -16.02 1.21 Allowed 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.605 -1.309 . . . . 0.0 114.074 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.55 -57.61 6.49 Favored Glycine 0 C--N 1.35 1.351 0 N-CA-C 118.767 2.267 . . . . 0.0 118.767 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -72.72 -28.93 13.34 Favored 'Trans proline' 0 CA--C 1.518 -0.314 0 CA-C-N 122.637 3.219 . . . . 0.0 111.189 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -64.24 -38.36 90.77 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.16 0.984 . . . . 0.0 112.139 174.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.0 tp -61.44 -42.83 99.36 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 124.932 1.293 . . . . 0.0 112.863 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.65 -43.92 93.74 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.214 -0.929 . . . . 0.0 111.617 172.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.7 m -62.4 -41.26 98.53 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.616 -1.302 . . . . 0.0 114.481 171.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.74 -44.42 96.95 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.218 -1.551 . . . . 0.0 113.666 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.63 -39.46 81.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 C-N-CA 124.361 1.064 . . . . 0.0 111.32 173.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -90.76 23.09 3.24 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.738 -1.226 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt 58.86 40.7 22.46 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 126.342 1.857 . . . . 0.0 115.718 169.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 102.08 -6.48 0.02 OUTLIER 'General case' 0 C--N 1.351 0.655 0 C-N-CA 131.286 3.835 . . . . 0.0 111.704 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 31.3 p . . . . . 0 C--N 1.353 0.752 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -172.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.24 -7.83 22.17 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.374 2.716 . . . . 0.0 112.236 -169.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm -59.33 -41.1 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 125.885 1.674 . . . . 0.0 110.998 168.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.39 -45.69 92.02 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.115 -0.991 . . . . 0.0 112.775 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.41 99.3 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 122.344 1.069 . . . . 0.0 112.527 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.8 t -62.09 -44.55 96.42 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.344 -1.472 . . . . 0.0 113.355 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.95 -43.26 99.28 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.885 1.274 . . . . 0.0 113.026 173.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.77 90.92 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.448 1.099 . . . . 0.0 112.676 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.02 91.07 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.421 -1.425 . . . . 0.0 114.41 171.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -73.38 -45.91 52.07 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.478 -2.014 . . . . 0.0 113.295 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -114.98 -11.97 12.07 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -163.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.11 -57.35 9.0 Favored Glycine 0 C--N 1.348 1.237 0 N-CA-C 117.606 1.803 . . . . 0.0 117.606 -176.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -72.93 -6.5 19.11 Favored 'Trans proline' 0 C--N 1.333 -0.286 0 CA-C-N 121.901 2.851 . . . . 0.0 112.38 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -99.3 -11.47 21.22 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 118.981 0.81 . . . . 0.0 110.231 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.79 -43.87 97.67 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 125.425 1.49 . . . . 0.0 111.952 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -59.97 -41.94 93.06 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 125.161 1.384 . . . . 0.0 111.932 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.7 m -63.5 -45.57 90.08 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.95 -1.094 . . . . 0.0 113.41 170.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.39 -43.05 97.03 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.557 -1.339 . . . . 0.0 113.725 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.92 -40.86 84.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 122.254 1.026 . . . . 0.0 111.271 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -85.98 34.04 0.61 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.287 -1.508 . . . . 0.0 111.6 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt 73.32 15.68 4.27 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 119.487 -2.008 . . . . 0.0 114.539 167.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm 100.18 3.7 0.02 OUTLIER 'General case' 0 C--N 1.35 0.628 1 C-N-CA 131.971 4.108 . . . . 0.0 111.505 -175.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.281 22.0 p . . . . . 0 C--N 1.353 0.734 0 C-N-CA 126.768 2.027 . . . . 0.0 115.897 -172.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.75 -6.02 18.26 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.466 2.777 . . . . 0.0 111.966 -174.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.49 -41.77 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 126.01 1.724 . . . . 0.0 110.488 169.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.06 -43.86 97.43 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 123.994 0.917 . . . . 0.0 113.015 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.97 98.82 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 122.223 1.011 . . . . 0.0 112.676 172.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.738 -1.226 . . . . 0.0 113.692 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.06 -44.05 90.26 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.907 -1.121 . . . . 0.0 113.07 170.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.76 96.09 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.823 1.249 . . . . 0.0 113.716 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.65 98.56 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.564 -1.335 . . . . 0.0 114.024 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -71.99 -45.38 61.17 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -107.36 -14.56 14.84 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.826 -1.171 . . . . 0.0 113.156 -168.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.61 -54.0 11.87 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 117.393 1.717 . . . . 0.0 117.393 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.29 -7.0 20.41 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 CA-C-N 122.714 3.257 . . . . 0.0 112.398 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -108.1 -3.9 18.22 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 119.263 0.938 . . . . 0.0 111.998 173.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.16 -44.9 90.69 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.475 -1.39 . . . . 0.0 111.175 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -59.77 -40.25 87.56 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.611 1.564 . . . . 0.0 111.897 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.5 m -63.61 -45.37 90.63 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.011 -1.056 . . . . 0.0 113.56 171.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.62 -42.92 97.8 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.751 -1.218 . . . . 0.0 113.378 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.48 -43.64 97.17 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-O 122.229 1.014 . . . . 0.0 111.507 170.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -87.38 48.02 1.59 Allowed 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.133 -1.604 . . . . 0.0 111.776 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.8 tttt 64.99 24.38 12.63 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.063 -1.648 . . . . 0.0 115.14 169.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 83.55 8.16 0.63 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 129.098 2.959 . . . . 0.0 112.367 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.267 19.1 p . . . . . 0 C--N 1.352 0.712 0 C-N-CA 127.976 2.51 . . . . 0.0 116.557 -171.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 . . . . . 0 N--CA 1.443 -0.821 0 CA-C-O 122.298 1.047 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 2' ' ' LEU . 2.1 pt? -98.07 8.55 0.06 OUTLIER Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 -175.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.27 -8.53 22.9 Favored 'Trans proline' 0 C--N 1.351 0.702 1 CA-C-N 129.284 4.351 . . . . 0.0 112.976 -168.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.67 -41.02 88.77 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 125.772 1.629 . . . . 0.0 110.943 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.65 -43.67 96.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.397 -1.439 . . . . 0.0 111.038 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.8 92.4 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -65.35 -42.62 92.63 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.285 -1.51 . . . . 0.0 113.42 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.82 -46.19 89.12 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.057 -1.027 . . . . 0.0 112.906 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.46 96.91 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 119.851 -1.78 . . . . 0.0 113.109 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.85 -13.9 60.62 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.335 -1.478 . . . . 0.0 114.563 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -18.28 7.08 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.957 -1.714 . . . . 0.0 113.341 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -120.56 -8.57 9.53 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 119.99 -1.694 . . . . 0.0 112.799 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.29 -54.71 11.95 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 173.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.74 -18.86 24.7 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 CA-C-N 122.082 2.941 . . . . 0.0 111.917 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -69.58 -42.62 74.23 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 119.336 0.971 . . . . 0.0 111.516 169.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.89 -47.05 86.3 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 126.123 1.769 . . . . 0.0 113.828 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -61.36 -42.52 98.84 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.075 -1.016 . . . . 0.0 112.579 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 m -66.3 -37.74 86.11 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 171.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.04 -42.52 99.26 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 120.956 -1.09 . . . . 0.0 113.322 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.77 -43.76 92.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.29 1.036 . . . . 0.0 111.445 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -80.79 50.59 1.37 Allowed 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.367 -1.458 . . . . 0.0 111.578 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? 56.62 38.18 29.39 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 128.06 2.544 . . . . 0.0 114.253 170.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.82 69.81 0.71 Allowed 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.757 -1.215 . . . . 0.0 113.689 -170.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.24 0.576 0 O-C-N 120.088 -1.632 . . . . 0.0 114.326 176.895 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 N--CA 1.437 -1.11 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -112.27 61.43 0.6 Allowed Pre-proline 0 C--N 1.349 0.571 0 O-C-N 120.478 -1.388 . . . . 0.0 113.44 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.56 -9.43 25.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 CA-C-N 124.42 2.614 . . . . 0.0 111.474 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 4' ' ' ILE . 3.7 mp -59.12 -41.54 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 126.055 1.742 . . . . 0.0 111.159 171.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.0 -46.86 87.37 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.236 -0.915 . . . . 0.0 112.966 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.33 99.1 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.369 1.081 . . . . 0.0 112.676 173.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t -61.17 -44.05 97.91 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.822 -1.174 . . . . 0.0 113.322 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.7 -45.74 77.84 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.296 1.039 . . . . 0.0 113.373 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.24 93.87 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.83 -1.169 . . . . 0.0 113.293 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.81 -33.49 71.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -99.22 -6.98 27.15 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.127 -1.608 . . . . 0.0 112.879 -174.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -143.68 -2.49 0.95 Allowed 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -172.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.86 -57.07 8.03 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 118.211 2.044 . . . . 0.0 118.211 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -75.73 -24.11 12.01 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 CA-C-N 122.124 2.962 . . . . 0.0 110.681 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -65.86 -38.79 89.76 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.741 0.817 . . . . 0.0 111.723 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.87 -44.35 97.18 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 125.234 1.414 . . . . 0.0 112.338 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.92 -43.71 94.73 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 122.241 1.019 . . . . 0.0 111.83 173.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.6 m -61.55 -44.41 97.09 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.454 -1.404 . . . . 0.0 113.949 170.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.64 -42.18 96.44 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.144 -1.597 . . . . 0.0 114.06 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.36 -39.49 79.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 122.461 1.124 . . . . 0.0 111.031 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -85.73 28.38 0.78 Allowed 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.592 -1.318 . . . . 0.0 111.519 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt 63.15 32.63 15.0 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 119.275 -2.141 . . . . 0.0 114.957 172.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 89.16 11.38 0.08 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 131.334 3.854 . . . . 0.0 112.034 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.259 32.1 p . . . . . 0 C--N 1.352 0.702 0 C-N-CA 126.864 2.065 . . . . 0.0 116.167 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 N--CA 1.437 -1.122 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.28 144.81 91.21 Favored Pre-proline 0 CA--C 1.539 0.535 0 O-C-N 120.414 -1.429 . . . . 0.0 112.937 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.72 -5.22 15.65 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.87 3.046 . . . . 0.0 113.042 -170.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.1 mm -58.63 -40.54 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 125.529 1.532 . . . . 0.0 110.835 167.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.7 tp -62.39 -43.3 99.14 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 121.096 -1.003 . . . . 0.0 112.856 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.38 99.31 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.011 -1.056 . . . . 0.0 112.892 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.0 t -62.35 -44.29 96.83 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.699 -1.251 . . . . 0.0 113.17 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.29 -45.09 94.81 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.405 -1.434 . . . . 0.0 112.941 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.68 -46.28 90.39 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 119.751 -1.843 . . . . 0.0 113.084 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.23 94.9 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -110.32 -10.52 14.6 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.269 -1.519 . . . . 0.0 113.351 -172.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -122.27 -7.82 8.73 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 119.844 -1.785 . . . . 0.0 112.222 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.67 -56.9 9.04 Favored Glycine 0 C--N 1.352 1.424 0 N-CA-C 118.023 1.969 . . . . 0.0 118.023 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -69.18 -29.41 26.7 Favored 'Trans proline' 0 CA--C 1.517 -0.329 0 CA-C-N 122.098 2.949 . . . . 0.0 111.437 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -64.81 -39.7 94.01 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 121.741 -0.599 . . . . 0.0 112.137 174.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.02 -43.3 99.08 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 126.274 1.83 . . . . 0.0 112.406 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.25 -44.21 92.39 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.921 -1.112 . . . . 0.0 111.791 173.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.06 -39.33 94.4 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 172.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.1 -44.66 88.11 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.79 -1.194 . . . . 0.0 114.158 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.52 -42.93 97.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.778 -1.201 . . . . 0.0 111.578 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -61.35 -46.1 91.65 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.889 -1.132 . . . . 0.0 111.631 171.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 93.87 88.92 0.01 OUTLIER 'General case' 0 C--N 1.349 0.56 0 C-N-CA 130.42 3.488 . . . . 0.0 109.663 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt 62.3 51.32 3.47 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.933 1.293 . . . . 0.0 114.001 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.353 0.719 0 N-CA-C 115.535 1.679 . . . . 0.0 115.535 -176.779 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 19.8 t80 . . . . . 0 N--CA 1.437 -1.117 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.48 144.83 91.89 Favored Pre-proline 0 CA--C 1.541 0.611 0 O-C-N 120.324 -1.485 . . . . 0.0 113.608 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.01 -2.67 10.05 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 124.315 3.343 . . . . 0.0 113.168 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.05 -40.98 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 126.103 1.761 . . . . 0.0 111.16 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.1 mt -62.35 -44.48 96.38 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.934 -1.104 . . . . 0.0 113.462 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.63 99.59 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 121.014 -1.054 . . . . 0.0 112.588 173.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 t -60.97 -44.77 96.85 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.886 -1.133 . . . . 0.0 112.841 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.83 -46.38 82.19 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.623 -1.298 . . . . 0.0 113.151 171.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.22 95.32 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.526 -1.359 . . . . 0.0 113.75 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.36 98.58 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -104.39 -2.91 24.78 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.291 -1.506 . . . . 0.0 113.224 -171.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -140.48 -3.29 1.34 Allowed 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.897 -1.127 . . . . 0.0 113.865 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.59 -56.12 10.06 Favored Glycine 0 C--N 1.35 1.326 0 N-CA-C 118.215 2.046 . . . . 0.0 118.215 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -69.85 -27.74 25.67 Favored 'Trans proline' 0 CA--C 1.518 -0.302 0 CA-C-N 122.146 2.973 . . . . 0.0 111.679 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -65.93 -42.26 90.29 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 121.671 -0.643 . . . . 0.0 111.478 173.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.8 -42.32 98.86 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 125.543 1.537 . . . . 0.0 112.887 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.08 -44.35 91.89 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 122.007 0.908 . . . . 0.0 111.87 172.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.9 m -62.66 -36.1 81.77 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 171.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.6 mt -59.77 -33.74 72.07 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.529 -1.357 . . . . 0.0 114.226 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.18 -39.15 57.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 C-N-CA 124.783 1.233 . . . . 0.0 112.348 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -90.82 13.88 15.15 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.406 -1.434 . . . . 0.0 111.162 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt 63.43 45.51 4.8 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.912 1.685 . . . . 0.0 111.933 -175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.319 0.0 OUTLIER 77.94 111.1 0.07 Allowed 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.859 2.064 . . . . 0.0 110.216 -171.481 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 C--N 1.347 0.489 0 O-C-N 120.308 -1.495 . . . . 0.0 112.632 -178.713 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 N--CA 1.437 -1.078 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.11 143.4 92.3 Favored Pre-proline 0 CA--C 1.54 0.591 0 O-C-N 120.005 -1.684 . . . . 0.0 113.428 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -70.66 -5.99 18.03 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.63 2.887 . . . . 0.0 112.403 -171.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.0 mm -58.35 -41.77 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 125.801 1.64 . . . . 0.0 110.828 168.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.45 -43.85 96.21 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.727 1.211 . . . . 0.0 112.271 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.16 99.23 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.967 -1.083 . . . . 0.0 112.713 173.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t -61.81 -42.99 99.71 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.706 -1.246 . . . . 0.0 113.377 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.3 -43.17 98.6 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.566 1.147 . . . . 0.0 113.069 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.27 97.87 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 121.014 -1.054 . . . . 0.0 113.638 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.64 98.43 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.516 -1.365 . . . . 0.0 113.816 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -68.26 -46.67 69.8 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.045 -1.66 . . . . 0.0 113.856 176.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -117.86 -9.25 10.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -163.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.41 -59.52 7.68 Favored Glycine 0 C--N 1.348 1.25 0 N-CA-C 118.383 2.113 . . . . 0.0 118.383 -173.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -80.41 -17.18 10.32 Favored 'Trans proline' 0 CA--C 1.515 -0.459 0 CA-C-N 121.627 2.714 . . . . 0.0 109.888 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -67.62 -41.79 83.36 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.117 0.967 . . . . 0.0 110.415 174.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.14 -41.32 92.48 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.453 2.301 . . . . 0.0 112.714 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -58.32 -44.88 88.83 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-O 122.176 0.989 . . . . 0.0 111.713 174.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 m -66.19 -38.56 88.32 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.12 -43.59 98.65 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.493 -1.38 . . . . 0.0 113.535 174.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.55 -40.72 85.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 124.807 1.243 . . . . 0.0 111.074 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -82.19 44.29 0.85 Allowed 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.551 -1.343 . . . . 0.0 111.379 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 59.74 39.02 21.38 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.464 2.306 . . . . 0.0 114.947 172.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt 60.66 56.37 3.04 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.162 1.385 . . . . 0.0 113.475 -175.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.35 0.609 0 O-C-N 120.284 -1.51 . . . . 0.0 114.193 178.595 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 N--CA 1.442 -0.851 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -112.97 65.0 0.89 Allowed Pre-proline 0 C--N 1.348 0.539 0 O-C-N 120.917 -1.114 . . . . 0.0 113.007 175.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.19 -7.02 20.48 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.067 2.511 . . . . 0.0 111.952 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.4 mp -58.39 -42.95 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 126.129 1.772 . . . . 0.0 111.136 173.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.39 -45.55 92.63 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.06 -1.025 . . . . 0.0 112.581 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.5 99.54 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.878 -1.139 . . . . 0.0 112.793 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -60.87 -44.87 96.46 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.822 -1.174 . . . . 0.0 112.933 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.25 -45.22 85.48 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 121.163 -0.961 . . . . 0.0 113.007 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.39 97.07 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.03 99.75 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.567 -1.333 . . . . 0.0 114.093 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -77.06 -45.66 26.32 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 119.954 -1.716 . . . . 0.0 114.101 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -116.68 -12.83 10.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -164.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.76 -56.85 18.38 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 120.442 -1.411 . . . . 0.0 116.056 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -69.54 -3.62 12.23 Favored 'Trans proline' 0 C--N 1.331 -0.388 0 CA-C-N 121.171 2.486 . . . . 0.0 113.218 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -100.93 -9.3 21.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 119.362 0.983 . . . . 0.0 110.107 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.13 -42.06 98.87 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 125.554 1.542 . . . . 0.0 112.351 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -58.95 -41.02 86.43 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.27 1.428 . . . . 0.0 112.026 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.1 m -65.94 -40.62 91.52 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 171.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.17 -45.51 91.46 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.335 -1.478 . . . . 0.0 113.248 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.95 -37.42 77.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 C-N-CA 125.274 1.43 . . . . 0.0 112.657 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -93.22 6.34 48.39 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 120.368 -1.457 . . . . 0.0 112.918 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.7 tttt 59.4 50.55 7.52 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.892 1.277 . . . . 0.0 112.572 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 83.36 112.31 0.06 Allowed 'General case' 0 C--N 1.351 0.661 0 C-N-CA 128.603 2.761 . . . . 0.0 111.125 -171.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.349 0.565 0 O-C-N 120.569 -1.332 . . . . 0.0 112.249 -179.306 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 122.12 0.962 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.57 142.05 94.44 Favored Pre-proline 0 N--CA 1.447 -0.624 0 C-N-CA 124.793 1.237 . . . . 0.0 113.953 -174.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.51 -5.9 17.74 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.594 2.863 . . . . 0.0 112.083 -176.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -58.38 -41.63 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 126.113 1.765 . . . . 0.0 110.445 167.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.42 -44.76 95.65 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.397 1.079 . . . . 0.0 112.785 177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.71 99.77 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-O 122.248 1.023 . . . . 0.0 112.676 173.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -62.31 -44.09 97.33 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.376 -1.453 . . . . 0.0 113.148 174.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.39 -44.42 96.49 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 124.464 1.105 . . . . 0.0 112.808 173.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.27 87.94 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.66 1.184 . . . . 0.0 113.024 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.42 89.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.614 -1.304 . . . . 0.0 114.443 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -75.44 -44.64 43.24 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.59 -1.944 . . . . 0.0 112.675 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.44 -15.66 14.75 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -160.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.97 -56.81 19.04 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 119.905 -1.747 . . . . 0.0 114.237 169.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.18 52.78 4.42 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.74 2.293 . . . . 0.0 110.835 167.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -145.09 -57.86 0.34 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 128.688 2.795 . . . . 0.0 104.541 166.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -52.28 -41.9 63.27 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 128.483 2.713 . . . . 0.0 114.234 -173.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -56.15 -40.84 74.48 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 122.12 0.962 . . . . 0.0 112.585 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.9 m -78.94 -17.78 54.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 120.221 -1.549 . . . . 0.0 113.755 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.37 -19.33 50.45 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 120.632 -1.293 . . . . 0.0 112.534 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.75 -39.61 77.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.662 1.185 . . . . 0.0 111.184 171.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 15.57 8.41 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.462 -1.399 . . . . 0.0 111.471 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.13 41.43 6.27 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 125.954 1.702 . . . . 0.0 111.977 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp 82.71 93.39 0.04 OUTLIER 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.33 2.652 . . . . 0.0 111.381 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.348 0.53 0 O-C-N 120.597 -1.314 . . . . 0.0 113.206 170.258 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 N--CA 1.442 -0.872 0 CA-C-O 121.542 0.686 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.4 mt 57.13 -179.63 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 126.642 1.977 . . . . 0.0 115.306 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -66.36 -3.77 9.45 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.127 1.885 . . . . 0.0 113.072 166.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm -60.07 -45.84 95.1 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 C-N-CA 125.013 1.325 . . . . 0.0 111.694 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.16 -42.52 99.34 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.823 -1.173 . . . . 0.0 113.718 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.28 98.61 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.893 -1.129 . . . . 0.0 112.832 173.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -61.53 -45.08 95.71 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.641 -1.287 . . . . 0.0 112.756 174.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.48 -43.53 98.58 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.611 -1.306 . . . . 0.0 113.035 173.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.57 97.11 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 121.124 -0.985 . . . . 0.0 113.559 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.87 94.85 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.635 -1.291 . . . . 0.0 113.977 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -68.41 -44.69 74.49 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.919 -1.738 . . . . 0.0 114.269 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -118.9 -9.8 10.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -164.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.33 -58.7 6.32 Favored Glycine 0 N--CA 1.475 1.284 0 N-CA-C 118.998 2.359 . . . . 0.0 118.998 -170.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -78.4 -20.34 11.08 Favored 'Trans proline' 0 CA--C 1.515 -0.425 0 CA-C-N 121.934 2.867 . . . . 0.0 110.376 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -69.46 -42.17 75.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.964 0.905 . . . . 0.0 110.858 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.5 -43.18 99.32 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 127.047 2.139 . . . . 0.0 112.012 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -58.41 -44.06 88.88 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.995 0.918 . . . . 0.0 112.036 173.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 m -62.81 -33.69 75.75 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -70.0 -20.43 63.29 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.536 -1.352 . . . . 0.0 114.147 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.09 -39.17 71.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.299 1.04 . . . . 0.0 111.738 173.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -89.75 18.66 5.35 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.399 -1.438 . . . . 0.0 111.342 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt 65.67 39.77 4.72 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 126.537 1.935 . . . . 0.0 112.428 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 81.7 98.85 0.05 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 127.022 2.129 . . . . 0.0 109.875 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.347 0.482 0 O-C-N 120.632 -1.293 . . . . 0.0 114.146 178.3 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 . . . . . 0 N--CA 1.439 -0.975 0 CA-C-O 122.113 0.959 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.1 mp 61.37 178.86 0.04 OUTLIER Pre-proline 0 C--N 1.355 0.814 0 C-N-CA 125.48 1.512 . . . . 0.0 113.856 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -67.3 -5.02 12.84 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 O-C-N 117.209 -2.048 . . . . 0.0 112.766 168.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.76 -49.94 82.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 125.114 1.366 . . . . 0.0 111.484 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.7 -40.68 95.77 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.04 -1.037 . . . . 0.0 113.096 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.09 96.05 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.99 -1.069 . . . . 0.0 112.846 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.3 t -63.66 -44.18 94.55 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.31 -1.494 . . . . 0.0 113.341 172.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.78 -44.99 95.8 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.675 -1.266 . . . . 0.0 112.992 174.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -45.21 95.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 120.585 -1.322 . . . . 0.0 113.093 175.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.28 99.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -96.7 -7.99 32.6 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 119.892 -1.755 . . . . 0.0 112.943 -175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -139.81 -4.09 1.41 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.97 -56.11 9.25 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 118.291 2.076 . . . . 0.0 118.291 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -71.31 -26.81 20.3 Favored 'Trans proline' 0 CA--C 1.517 -0.35 0 CA-C-N 122.227 3.014 . . . . 0.0 111.644 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -66.21 -43.21 87.36 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 121.7 -0.625 . . . . 0.0 111.303 173.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.28 -44.37 97.35 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.901 1.68 . . . . 0.0 111.99 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.02 -44.59 91.73 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 124.142 0.977 . . . . 0.0 112.11 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.6 m -63.1 -34.09 76.86 Favored 'General case' 0 C--N 1.346 0.44 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 171.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.5 -20.66 63.71 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.666 -1.271 . . . . 0.0 114.097 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.19 -39.13 72.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 C-N-CA 124.238 1.015 . . . . 0.0 111.66 172.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -90.81 16.36 9.48 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.443 -1.411 . . . . 0.0 111.212 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt 64.96 40.67 5.13 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 126.37 1.868 . . . . 0.0 112.565 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 83.2 99.57 0.05 OUTLIER 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.187 2.195 . . . . 0.0 109.674 -176.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 C--N 1.347 0.49 0 O-C-N 120.652 -1.28 . . . . 0.0 114.152 178.417 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 N--CA 1.444 -0.737 0 CA-C-O 122.127 0.965 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.71 145.55 91.74 Favored Pre-proline 0 N--CA 1.449 -0.523 0 C-N-CA 124.711 1.204 . . . . 0.0 112.81 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.64 -5.2 14.75 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.774 2.983 . . . . 0.0 112.612 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.0 -41.48 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 126.306 1.842 . . . . 0.0 110.617 166.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.29 -45.58 92.62 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 124.394 1.077 . . . . 0.0 113.058 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.89 98.87 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.028 -1.045 . . . . 0.0 112.487 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 t -61.63 -43.5 98.74 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.767 -1.208 . . . . 0.0 113.353 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.5 -42.67 98.5 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.798 -1.189 . . . . 0.0 113.181 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.2 97.51 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 121.049 -1.032 . . . . 0.0 113.321 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.05 99.76 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.639 -1.288 . . . . 0.0 113.723 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -65.88 -43.92 86.86 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.084 -1.635 . . . . 0.0 114.371 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -121.18 -9.65 9.1 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -165.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.3 -59.44 5.21 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 119.745 2.658 . . . . 0.0 119.745 -168.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -79.61 -22.45 7.87 Favored 'Trans proline' 0 CA--C 1.516 -0.413 0 CA-C-N 122.378 3.089 . . . . 0.0 109.991 -177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -68.28 -40.33 81.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.952 1.301 . . . . 0.0 110.647 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -61.38 -43.68 98.46 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 126.672 1.989 . . . . 0.0 112.325 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -59.41 -43.62 93.0 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.933 -1.104 . . . . 0.0 111.808 173.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.9 m -63.06 -39.6 95.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 120.243 -1.536 . . . . 0.0 115.07 170.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.28 -42.73 99.6 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.17 1.35 . . . . 0.0 113.657 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.64 -39.32 79.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.821 1.249 . . . . 0.0 111.01 171.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -81.33 38.79 0.5 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.582 -1.324 . . . . 0.0 111.559 174.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? 56.05 38.82 30.32 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 128.416 2.686 . . . . 0.0 114.448 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.71 74.08 0.44 Allowed 'General case' 0 C--N 1.347 0.477 0 C-N-CA 124.798 1.239 . . . . 0.0 112.316 -171.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.8 p . . . . . 0 C--O 1.24 0.558 0 CA-C-O 123.162 1.458 . . . . 0.0 114.293 176.608 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 p90 . . . . . 0 N--CA 1.444 -0.751 0 CA-C-O 121.855 0.836 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.61 67.06 0.51 Allowed Pre-proline 0 C--N 1.347 0.489 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.69 -6.4 18.97 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.321 2.681 . . . . 0.0 111.426 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.28 -42.4 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 126.921 2.088 . . . . 0.0 110.735 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.55 -45.34 93.4 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.125 -0.985 . . . . 0.0 113.101 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.34 99.69 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.377 1.084 . . . . 0.0 112.426 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -62.15 -44.69 96.07 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.349 -1.47 . . . . 0.0 113.283 174.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.87 -43.29 99.2 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.796 1.238 . . . . 0.0 112.997 173.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.77 90.6 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.318 1.047 . . . . 0.0 112.674 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.86 91.16 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.344 -1.472 . . . . 0.0 114.489 171.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -73.43 -45.09 56.48 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.441 -2.037 . . . . 0.0 113.518 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -112.69 -12.57 13.37 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -164.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.68 -56.28 9.95 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 117.377 1.711 . . . . 0.0 117.377 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -72.25 -5.68 17.61 Favored 'Trans proline' 0 C--N 1.332 -0.323 0 CA-C-N 122.039 2.919 . . . . 0.0 112.788 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -101.39 -12.12 18.85 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 119.193 0.906 . . . . 0.0 110.313 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.22 -39.4 90.13 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.565 1.946 . . . . 0.0 112.197 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -56.48 -37.23 70.06 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.67 1.588 . . . . 0.0 112.54 174.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.2 m -92.41 -11.59 34.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.75 -1.218 . . . . 0.0 112.945 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.94 -41.14 71.53 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.371 -1.456 . . . . 0.0 110.956 161.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.99 -54.08 30.91 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 120.496 -1.377 . . . . 0.0 111.341 169.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -102.08 68.48 1.11 Allowed 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 124.474 1.109 . . . . 0.0 109.461 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 16.15 72.02 0.01 OUTLIER 'General case' 0 C--N 1.352 0.679 0 C-N-CA 130.564 3.546 . . . . 0.0 118.264 166.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? 59.71 50.98 6.58 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.346 0.427 0 O-C-N 120.727 -1.233 . . . . 0.0 113.579 171.811 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.0 t80 . . . . . 0 N--CA 1.436 -1.126 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.54 146.03 90.45 Favored Pre-proline 0 CA--C 1.541 0.622 0 O-C-N 120.36 -1.462 . . . . 0.0 113.903 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -67.86 -1.94 7.76 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 124.564 3.509 . . . . 0.0 113.187 -174.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.8 mt -55.92 -41.01 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 126.524 1.93 . . . . 0.0 110.588 168.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.93 -43.48 98.75 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 121.06 -1.025 . . . . 0.0 113.727 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.16 98.77 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.778 -1.201 . . . . 0.0 112.474 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t -61.68 -43.97 97.85 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.6 -1.313 . . . . 0.0 113.166 173.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.19 -40.49 97.67 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.896 1.278 . . . . 0.0 113.077 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.93 95.89 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.679 -1.263 . . . . 0.0 113.412 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.73 87.49 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.118 -1.614 . . . . 0.0 113.815 172.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -64.63 -46.56 82.07 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.288 -1.507 . . . . 0.0 113.832 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -126.71 -26.69 3.19 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 120.845 -1.159 . . . . 0.0 113.422 -166.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.77 -57.77 5.83 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 119.206 2.443 . . . . 0.0 119.206 -170.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -75.67 -6.23 17.36 Favored 'Trans proline' 0 CA--C 1.517 -0.361 0 CA-C-N 123.157 3.479 . . . . 0.0 111.901 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -102.22 -15.97 16.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.33 1.052 . . . . 0.0 109.182 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.01 -39.45 92.28 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.796 2.438 . . . . 0.0 112.465 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -57.91 -41.67 83.12 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.45 1.1 . . . . 0.0 112.339 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 m -75.77 -25.09 56.14 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.483 -1.386 . . . . 0.0 114.247 173.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.19 -42.0 96.86 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 120.097 1.317 . . . . 0.0 112.399 169.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.98 -42.96 91.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 C-N-CA 124.755 1.222 . . . . 0.0 111.554 172.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -81.11 40.89 0.56 Allowed 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.272 -1.518 . . . . 0.0 111.953 174.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt 56.91 45.76 20.81 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 127.789 2.436 . . . . 0.0 115.619 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt 62.0 55.61 2.5 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 125.546 1.539 . . . . 0.0 113.607 -176.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 C--N 1.349 0.586 0 O-C-N 120.391 -1.443 . . . . 0.0 113.633 177.103 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 N--CA 1.441 -0.925 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.49 138.81 97.02 Favored Pre-proline 0 C--N 1.348 0.541 0 O-C-N 119.809 -1.807 . . . . 0.0 113.039 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -71.51 -6.3 18.87 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.507 2.805 . . . . 0.0 111.851 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.68 -41.76 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 125.842 1.657 . . . . 0.0 110.505 168.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.31 -43.3 98.22 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.088 -1.008 . . . . 0.0 112.954 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.0 98.4 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.226 1.01 . . . . 0.0 112.428 172.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -61.87 -44.59 96.52 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.517 -1.364 . . . . 0.0 113.262 173.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.09 -45.39 92.3 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.612 -1.305 . . . . 0.0 112.672 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.35 -43.91 98.08 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.375 1.07 . . . . 0.0 113.671 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.33 99.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 120.505 -1.372 . . . . 0.0 114.272 176.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -43.66 21.27 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.555 -1.341 . . . . 0.0 113.305 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -105.78 -14.32 15.27 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.539 -1.351 . . . . 0.0 113.145 -169.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.69 -53.07 14.01 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 125.591 1.567 . . . . 0.0 116.956 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -69.28 -3.94 12.7 Favored 'Trans proline' 0 C--O 1.235 0.372 0 CA-C-N 122.408 3.104 . . . . 0.0 113.01 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -111.47 -3.61 15.13 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.846 -1.159 . . . . 0.0 111.962 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.47 -44.3 91.49 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.446 -1.409 . . . . 0.0 112.378 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.59 -39.65 84.86 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.296 1.038 . . . . 0.0 111.802 172.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.99 -42.9 97.05 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.727 -1.233 . . . . 0.0 113.487 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.67 -43.71 97.33 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.738 -1.226 . . . . 0.0 113.058 177.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.03 -45.01 99.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-O 122.143 0.973 . . . . 0.0 111.833 171.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m -89.01 46.48 1.39 Allowed 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.08 -1.638 . . . . 0.0 111.879 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.2 tttt 59.92 33.73 21.55 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 168.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 84.03 2.53 0.88 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 129.302 3.041 . . . . 0.0 112.968 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.263 20.0 p . . . . . 0 C--N 1.352 0.702 0 C-N-CA 127.521 2.329 . . . . 0.0 116.792 -171.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.441 -0.882 0 CA-C-O 121.743 0.783 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.7 mt -114.56 70.01 2.15 Favored Pre-proline 0 C--N 1.347 0.462 0 O-C-N 121.123 -0.985 . . . . 0.0 112.906 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -71.65 -5.16 16.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.601 2.867 . . . . 0.0 112.307 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.25 -41.3 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 127.347 2.259 . . . . 0.0 111.509 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.02 -43.89 97.47 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.344 -1.473 . . . . 0.0 111.993 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.33 94.26 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.986 -1.071 . . . . 0.0 113.698 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.4 p -65.84 -45.22 83.0 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.299 -1.5 . . . . 0.0 113.524 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.67 -46.12 80.32 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 174.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.2 93.93 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.825 -1.797 . . . . 0.0 113.122 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.13 92.52 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -103.51 -13.03 16.75 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.037 -1.665 . . . . 0.0 112.465 -171.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -124.85 -3.06 7.73 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 119.89 -1.756 . . . . 0.0 112.885 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.51 -55.1 11.37 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 117.679 1.832 . . . . 0.0 117.679 173.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.72 -28.39 37.14 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 CA-C-N 121.917 2.858 . . . . 0.0 112.049 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -65.34 -41.64 93.73 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 118.84 0.745 . . . . 0.0 111.971 173.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.11 -42.97 99.5 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.866 1.667 . . . . 0.0 112.271 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.39 -45.28 88.65 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.145 -0.972 . . . . 0.0 111.923 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.8 m -63.23 -37.9 89.06 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 171.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.59 -40.16 93.78 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.41 -1.431 . . . . 0.0 113.239 174.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.3 t -58.96 -36.81 63.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 C-N-CA 124.574 1.15 . . . . 0.0 112.055 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -17.69 61.89 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.9 -1.75 . . . . 0.0 113.35 174.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? 72.35 45.01 0.38 Allowed 'General case' 0 C--N 1.353 0.73 0 C-N-CA 126.876 2.07 . . . . 0.0 111.316 -167.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 86.68 101.94 0.04 OUTLIER 'General case' 0 C--N 1.351 0.64 0 C-N-CA 128.299 2.64 . . . . 0.0 109.583 -175.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.347 0.496 0 O-C-N 120.728 -1.232 . . . . 0.0 113.418 179.832 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 121.7 0.762 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.38 66.44 1.62 Allowed Pre-proline 0 C--N 1.346 0.449 0 O-C-N 121.114 -0.991 . . . . 0.0 113.443 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.41 -5.08 16.26 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.482 2.788 . . . . 0.0 111.819 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.9 mm -58.04 -42.43 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 126.825 2.05 . . . . 0.0 111.625 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.8 -46.32 90.03 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 121.109 -0.994 . . . . 0.0 112.509 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.21 98.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.912 -1.118 . . . . 0.0 112.654 174.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.3 t -60.83 -44.32 97.1 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.936 -1.103 . . . . 0.0 113.053 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.85 -44.81 80.05 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.234 1.013 . . . . 0.0 113.319 171.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.4 97.18 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.51 1.124 . . . . 0.0 114.006 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.97 98.24 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.43 -1.419 . . . . 0.0 113.746 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -72.65 -48.56 38.33 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.139 -1.6 . . . . 0.0 113.442 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -113.05 -18.19 12.24 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -164.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.79 -55.91 20.97 Favored Glycine 0 C--N 1.348 1.218 0 O-C-N 120.501 -1.374 . . . . 0.0 115.86 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -69.35 -3.26 11.38 Favored 'Trans proline' 0 C--N 1.331 -0.394 0 CA-C-N 121.218 2.509 . . . . 0.0 113.522 173.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -100.86 -13.01 18.55 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.959 1.254 . . . . 0.0 110.389 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.89 -42.82 99.52 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.857 1.663 . . . . 0.0 112.426 -171.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -58.98 -41.6 87.97 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.958 1.303 . . . . 0.0 112.161 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.3 m -66.66 -39.23 88.11 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.31 -45.39 88.12 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.976 -1.077 . . . . 0.0 113.31 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.22 -36.23 71.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 C-N-CA 125.434 1.494 . . . . 0.0 112.09 176.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 p -90.18 12.79 16.91 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 120.496 -1.377 . . . . 0.0 112.256 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.254 1.9 tmtm? 73.96 24.14 2.09 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.792 1.237 . . . . 0.0 112.869 163.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 96.5 92.9 0.01 OUTLIER 'General case' 0 C--N 1.352 0.695 0 C-N-CA 130.958 3.703 . . . . 0.0 109.848 -177.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--N 1.35 0.623 0 CA-C-O 122.714 1.245 . . . . 0.0 114.219 177.297 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 N--CA 1.441 -0.888 0 CA-C-O 122.063 0.935 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp 66.06 177.28 0.05 OUTLIER Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 126.3 1.84 . . . . 0.0 114.556 170.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -64.25 -1.02 3.27 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.997 2.465 . . . . 0.0 114.485 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.7 -39.33 76.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 C-N-CA 125.997 1.719 . . . . 0.0 111.242 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.32 -44.38 95.52 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.085 -1.635 . . . . 0.0 112.995 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.0 94.06 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.969 -1.082 . . . . 0.0 113.661 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.3 p -65.34 -43.43 90.95 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.418 -1.426 . . . . 0.0 113.379 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.86 -49.58 67.61 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.914 -1.116 . . . . 0.0 113.325 172.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.02 90.93 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.587 -1.945 . . . . 0.0 113.736 -177.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.44 15.24 12.68 Favored 'General case' 0 N--CA 1.446 -0.634 0 O-C-N 120.271 -1.518 . . . . 0.0 112.836 -172.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.6 -27.55 1.03 Allowed 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.697 -1.252 . . . . 0.0 111.795 168.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -118.27 -5.96 10.85 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.437 -1.415 . . . . 0.0 113.336 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.52 -55.58 9.16 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 118.054 1.982 . . . . 0.0 118.054 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -74.44 -22.19 16.4 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 CA-C-N 121.951 2.875 . . . . 0.0 111.323 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -67.68 -43.49 80.04 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 118.725 0.693 . . . . 0.0 111.009 172.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.22 -44.18 97.69 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.177 1.791 . . . . 0.0 112.046 175.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.58 -44.44 89.8 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.156 0.982 . . . . 0.0 112.17 173.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.8 m -63.55 -33.27 75.21 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 171.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.0 mt -70.01 -20.57 63.27 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.662 -1.274 . . . . 0.0 114.102 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.15 -39.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 124.254 1.022 . . . . 0.0 111.686 173.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.26 16.87 7.85 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.405 -1.434 . . . . 0.0 111.337 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt 65.1 40.78 4.88 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 126.332 1.853 . . . . 0.0 112.441 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 82.93 99.57 0.05 OUTLIER 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.099 2.16 . . . . 0.0 109.72 -176.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 C--N 1.347 0.457 0 O-C-N 120.693 -1.254 . . . . 0.0 114.208 178.604 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.1 p90 . . . . . 0 N--CA 1.445 -0.686 0 CA-C-O 122.136 0.969 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.1 144.76 90.66 Favored Pre-proline 0 N--CA 1.447 -0.585 0 C-N-CA 124.936 1.294 . . . . 0.0 113.193 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.72 -5.91 17.32 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 123.326 2.684 . . . . 0.0 112.458 -174.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.7 mt -59.52 -40.98 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 126.928 2.091 . . . . 0.0 111.01 168.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.08 -45.89 90.01 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.514 -1.366 . . . . 0.0 111.506 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.3 91.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.083 0.953 . . . . 0.0 113.381 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 p -64.1 -42.62 96.82 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.361 -1.462 . . . . 0.0 113.591 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.89 -42.78 89.84 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 126.05 1.74 . . . . 0.0 113.951 170.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.09 85.38 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.074 -1.641 . . . . 0.0 111.762 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.8 23.99 0.31 Allowed 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.871 -1.143 . . . . 0.0 114.062 172.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -130.08 -34.35 1.68 Allowed 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.036 -1.665 . . . . 0.0 109.871 161.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -111.61 -4.5 14.73 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.5 -56.98 6.85 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 118.397 2.119 . . . . 0.0 118.397 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -78.23 -21.63 10.37 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 CA-C-N 122.099 2.949 . . . . 0.0 110.715 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -66.92 -38.94 87.13 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.478 0.711 . . . . 0.0 111.444 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.31 -43.19 96.56 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.119 1.768 . . . . 0.0 112.296 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -59.09 -44.55 91.94 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.957 -1.089 . . . . 0.0 111.632 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.43 -36.75 85.17 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 172.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.15 -43.06 99.36 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.44 1.473 . . . . 0.0 113.334 170.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.62 -35.15 57.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 120.529 -1.357 . . . . 0.0 111.702 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 m -91.44 2.01 56.72 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 125.518 1.527 . . . . 0.0 111.341 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.251 6.2 mptt 62.35 52.7 2.99 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.85 1.66 . . . . 0.0 115.097 177.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt 85.58 58.45 0.01 OUTLIER 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.282 1.833 . . . . 0.0 112.419 172.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.7 p . . . . . 0 C--N 1.351 0.67 0 O-C-N 120.228 -1.545 . . . . 0.0 112.622 171.465 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 N--CA 1.436 -1.132 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.0 mt -113.26 65.95 1.07 Allowed Pre-proline 0 C--N 1.349 0.57 0 O-C-N 120.603 -1.311 . . . . 0.0 113.586 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.62 -7.19 20.75 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.02 2.48 . . . . 0.0 111.841 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp -58.21 -41.53 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 126.16 1.784 . . . . 0.0 111.113 172.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.07 -46.05 90.82 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.097 -1.002 . . . . 0.0 113.204 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.83 97.88 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.229 1.014 . . . . 0.0 112.616 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.7 t -61.41 -44.23 97.5 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.899 -1.126 . . . . 0.0 113.117 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.91 -47.3 78.27 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.225 -0.922 . . . . 0.0 112.89 171.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.36 93.64 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.996 -1.065 . . . . 0.0 113.544 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.64 -35.65 74.82 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.97 -1.081 . . . . 0.0 113.797 175.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -101.09 8.19 42.94 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.401 -1.437 . . . . 0.0 112.901 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -138.47 -16.02 1.21 Allowed 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.605 -1.309 . . . . 0.0 114.074 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.55 -57.61 6.49 Favored Glycine 0 C--N 1.35 1.351 0 N-CA-C 118.767 2.267 . . . . 0.0 118.767 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -72.72 -28.93 13.34 Favored 'Trans proline' 0 CA--C 1.518 -0.314 0 CA-C-N 122.637 3.219 . . . . 0.0 111.189 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -64.24 -38.36 90.77 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.16 0.984 . . . . 0.0 112.139 174.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.0 tp -61.44 -42.83 99.36 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 124.932 1.293 . . . . 0.0 112.863 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.65 -43.92 93.74 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.214 -0.929 . . . . 0.0 111.617 172.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.7 m -62.4 -41.26 98.53 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.616 -1.302 . . . . 0.0 114.481 171.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.74 -44.42 96.95 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.218 -1.551 . . . . 0.0 113.666 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.63 -39.46 81.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 C-N-CA 124.361 1.064 . . . . 0.0 111.32 173.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -90.76 23.09 3.24 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.738 -1.226 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt 58.86 40.7 22.46 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 126.342 1.857 . . . . 0.0 115.718 169.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 102.08 -6.48 0.02 OUTLIER 'General case' 0 C--N 1.351 0.655 0 C-N-CA 131.286 3.835 . . . . 0.0 111.704 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 31.3 p . . . . . 0 C--N 1.353 0.752 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -172.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.0 p90 . . . . . 0 N--CA 1.438 -1.047 0 CA-C-O 122.177 0.989 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.0 mt 46.88 54.91 15.89 Favored Pre-proline 0 C--N 1.351 0.668 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 176.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.24 -7.83 22.17 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.374 2.716 . . . . 0.0 112.236 -169.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm -59.33 -41.1 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 125.885 1.674 . . . . 0.0 110.998 168.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.39 -45.69 92.02 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.115 -0.991 . . . . 0.0 112.775 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.41 99.3 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 122.344 1.069 . . . . 0.0 112.527 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.8 t -62.09 -44.55 96.42 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.344 -1.472 . . . . 0.0 113.355 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.95 -43.26 99.28 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.885 1.274 . . . . 0.0 113.026 173.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.77 90.92 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.448 1.099 . . . . 0.0 112.676 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.02 91.07 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.421 -1.425 . . . . 0.0 114.41 171.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -73.38 -45.91 52.07 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.478 -2.014 . . . . 0.0 113.295 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -114.98 -11.97 12.07 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -163.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.11 -57.35 9.0 Favored Glycine 0 C--N 1.348 1.237 0 N-CA-C 117.606 1.803 . . . . 0.0 117.606 -176.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -72.93 -6.5 19.11 Favored 'Trans proline' 0 C--N 1.333 -0.286 0 CA-C-N 121.901 2.851 . . . . 0.0 112.38 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -99.3 -11.47 21.22 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 118.981 0.81 . . . . 0.0 110.231 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.79 -43.87 97.67 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 125.425 1.49 . . . . 0.0 111.952 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -59.97 -41.94 93.06 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 125.161 1.384 . . . . 0.0 111.932 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.7 m -63.5 -45.57 90.08 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.95 -1.094 . . . . 0.0 113.41 170.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.39 -43.05 97.03 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.557 -1.339 . . . . 0.0 113.725 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.92 -40.86 84.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 122.254 1.026 . . . . 0.0 111.271 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -85.98 34.04 0.61 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.287 -1.508 . . . . 0.0 111.6 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt 73.32 15.68 4.27 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 119.487 -2.008 . . . . 0.0 114.539 167.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm 100.18 3.7 0.02 OUTLIER 'General case' 0 C--N 1.35 0.628 1 C-N-CA 131.971 4.108 . . . . 0.0 111.505 -175.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.281 22.0 p . . . . . 0 C--N 1.353 0.734 0 C-N-CA 126.768 2.027 . . . . 0.0 115.897 -172.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 N--CA 1.439 -0.998 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.79 138.54 97.01 Favored Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 120.187 -1.57 . . . . 0.0 113.642 -176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.75 -6.02 18.26 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.466 2.777 . . . . 0.0 111.966 -174.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.49 -41.77 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 126.01 1.724 . . . . 0.0 110.488 169.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.06 -43.86 97.43 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 123.994 0.917 . . . . 0.0 113.015 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.97 98.82 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 122.223 1.011 . . . . 0.0 112.676 172.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.738 -1.226 . . . . 0.0 113.692 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.06 -44.05 90.26 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.907 -1.121 . . . . 0.0 113.07 170.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.76 96.09 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.823 1.249 . . . . 0.0 113.716 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.65 98.56 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.564 -1.335 . . . . 0.0 114.024 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -71.99 -45.38 61.17 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -107.36 -14.56 14.84 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.826 -1.171 . . . . 0.0 113.156 -168.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.61 -54.0 11.87 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 117.393 1.717 . . . . 0.0 117.393 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.29 -7.0 20.41 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 CA-C-N 122.714 3.257 . . . . 0.0 112.398 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -108.1 -3.9 18.22 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 119.263 0.938 . . . . 0.0 111.998 173.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.16 -44.9 90.69 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.475 -1.39 . . . . 0.0 111.175 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -59.77 -40.25 87.56 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.611 1.564 . . . . 0.0 111.897 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.5 m -63.61 -45.37 90.63 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.011 -1.056 . . . . 0.0 113.56 171.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.62 -42.92 97.8 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.751 -1.218 . . . . 0.0 113.378 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.48 -43.64 97.17 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-O 122.229 1.014 . . . . 0.0 111.507 170.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -87.38 48.02 1.59 Allowed 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.133 -1.604 . . . . 0.0 111.776 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.8 tttt 64.99 24.38 12.63 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.063 -1.648 . . . . 0.0 115.14 169.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 83.55 8.16 0.63 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 129.098 2.959 . . . . 0.0 112.367 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.267 19.1 p . . . . . 0 C--N 1.352 0.712 0 C-N-CA 127.976 2.51 . . . . 0.0 116.557 -171.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.27 -8.53 22.9 Favored 'Trans proline' 0 C--N 1.351 0.702 1 CA-C-N 129.284 4.351 . . . . 0.0 112.976 -168.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.67 -41.02 88.77 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 125.772 1.629 . . . . 0.0 110.943 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.65 -43.67 96.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.397 -1.439 . . . . 0.0 111.038 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.8 92.4 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -65.35 -42.62 92.63 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.285 -1.51 . . . . 0.0 113.42 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.82 -46.19 89.12 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.057 -1.027 . . . . 0.0 112.906 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.46 96.91 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 119.851 -1.78 . . . . 0.0 113.109 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.85 -13.9 60.62 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.335 -1.478 . . . . 0.0 114.563 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -18.28 7.08 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.957 -1.714 . . . . 0.0 113.341 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -120.56 -8.57 9.53 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 119.99 -1.694 . . . . 0.0 112.799 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.29 -54.71 11.95 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 173.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.74 -18.86 24.7 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 CA-C-N 122.082 2.941 . . . . 0.0 111.917 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -69.58 -42.62 74.23 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 119.336 0.971 . . . . 0.0 111.516 169.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.89 -47.05 86.3 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 126.123 1.769 . . . . 0.0 113.828 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -61.36 -42.52 98.84 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.075 -1.016 . . . . 0.0 112.579 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 m -66.3 -37.74 86.11 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 171.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.04 -42.52 99.26 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 120.956 -1.09 . . . . 0.0 113.322 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.77 -43.76 92.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.29 1.036 . . . . 0.0 111.445 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -80.79 50.59 1.37 Allowed 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.367 -1.458 . . . . 0.0 111.578 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? 56.62 38.18 29.39 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 128.06 2.544 . . . . 0.0 114.253 170.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.82 69.81 0.71 Allowed 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.757 -1.215 . . . . 0.0 113.689 -170.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.24 0.576 0 O-C-N 120.088 -1.632 . . . . 0.0 114.326 176.895 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.56 -9.43 25.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 CA-C-N 124.42 2.614 . . . . 0.0 111.474 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 4' ' ' ILE . 3.7 mp -59.12 -41.54 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 126.055 1.742 . . . . 0.0 111.159 171.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.0 -46.86 87.37 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.236 -0.915 . . . . 0.0 112.966 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.33 99.1 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.369 1.081 . . . . 0.0 112.676 173.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t -61.17 -44.05 97.91 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.822 -1.174 . . . . 0.0 113.322 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.7 -45.74 77.84 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.296 1.039 . . . . 0.0 113.373 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.24 93.87 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.83 -1.169 . . . . 0.0 113.293 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.81 -33.49 71.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -99.22 -6.98 27.15 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.127 -1.608 . . . . 0.0 112.879 -174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -143.68 -2.49 0.95 Allowed 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -172.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.86 -57.07 8.03 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 118.211 2.044 . . . . 0.0 118.211 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -75.73 -24.11 12.01 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 CA-C-N 122.124 2.962 . . . . 0.0 110.681 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -65.86 -38.79 89.76 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.741 0.817 . . . . 0.0 111.723 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.87 -44.35 97.18 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 125.234 1.414 . . . . 0.0 112.338 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.92 -43.71 94.73 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 122.241 1.019 . . . . 0.0 111.83 173.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.6 m -61.55 -44.41 97.09 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.454 -1.404 . . . . 0.0 113.949 170.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.64 -42.18 96.44 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.144 -1.597 . . . . 0.0 114.06 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.36 -39.49 79.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 122.461 1.124 . . . . 0.0 111.031 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -85.73 28.38 0.78 Allowed 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.592 -1.318 . . . . 0.0 111.519 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt 63.15 32.63 15.0 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 119.275 -2.141 . . . . 0.0 114.957 172.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 89.16 11.38 0.08 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 131.334 3.854 . . . . 0.0 112.034 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.259 32.1 p . . . . . 0 C--N 1.352 0.702 0 C-N-CA 126.864 2.065 . . . . 0.0 116.167 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 CA--C 1.539 0.535 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.72 -5.22 15.65 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.87 3.046 . . . . 0.0 113.042 -170.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.1 mm -58.63 -40.54 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 125.529 1.532 . . . . 0.0 110.835 167.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.7 tp -62.39 -43.3 99.14 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 121.096 -1.003 . . . . 0.0 112.856 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.38 99.31 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.011 -1.056 . . . . 0.0 112.892 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.0 t -62.35 -44.29 96.83 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.699 -1.251 . . . . 0.0 113.17 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.29 -45.09 94.81 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.405 -1.434 . . . . 0.0 112.941 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.68 -46.28 90.39 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 119.751 -1.843 . . . . 0.0 113.084 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.23 94.9 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -110.32 -10.52 14.6 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.269 -1.519 . . . . 0.0 113.351 -172.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -122.27 -7.82 8.73 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 119.844 -1.785 . . . . 0.0 112.222 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.67 -56.9 9.04 Favored Glycine 0 C--N 1.352 1.424 0 N-CA-C 118.023 1.969 . . . . 0.0 118.023 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -69.18 -29.41 26.7 Favored 'Trans proline' 0 CA--C 1.517 -0.329 0 CA-C-N 122.098 2.949 . . . . 0.0 111.437 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -64.81 -39.7 94.01 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 121.741 -0.599 . . . . 0.0 112.137 174.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.02 -43.3 99.08 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 126.274 1.83 . . . . 0.0 112.406 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.25 -44.21 92.39 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.921 -1.112 . . . . 0.0 111.791 173.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.06 -39.33 94.4 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 172.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.1 -44.66 88.11 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.79 -1.194 . . . . 0.0 114.158 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.52 -42.93 97.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.778 -1.201 . . . . 0.0 111.578 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -61.35 -46.1 91.65 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.889 -1.132 . . . . 0.0 111.631 171.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 93.87 88.92 0.01 OUTLIER 'General case' 0 C--N 1.349 0.56 0 C-N-CA 130.42 3.488 . . . . 0.0 109.663 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt 62.3 51.32 3.47 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.933 1.293 . . . . 0.0 114.001 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.353 0.719 0 N-CA-C 115.535 1.679 . . . . 0.0 115.535 -176.779 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 CA--C 1.541 0.611 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.01 -2.67 10.05 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 124.315 3.343 . . . . 0.0 113.168 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.05 -40.98 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 126.103 1.761 . . . . 0.0 111.16 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.1 mt -62.35 -44.48 96.38 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.934 -1.104 . . . . 0.0 113.462 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.63 99.59 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 121.014 -1.054 . . . . 0.0 112.588 173.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 t -60.97 -44.77 96.85 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.886 -1.133 . . . . 0.0 112.841 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.83 -46.38 82.19 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.623 -1.298 . . . . 0.0 113.151 171.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.22 95.32 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.526 -1.359 . . . . 0.0 113.75 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.36 98.58 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -104.39 -2.91 24.78 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.291 -1.506 . . . . 0.0 113.224 -171.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -140.48 -3.29 1.34 Allowed 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.897 -1.127 . . . . 0.0 113.865 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.59 -56.12 10.06 Favored Glycine 0 C--N 1.35 1.326 0 N-CA-C 118.215 2.046 . . . . 0.0 118.215 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -69.85 -27.74 25.67 Favored 'Trans proline' 0 CA--C 1.518 -0.302 0 CA-C-N 122.146 2.973 . . . . 0.0 111.679 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -65.93 -42.26 90.29 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 121.671 -0.643 . . . . 0.0 111.478 173.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.8 -42.32 98.86 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 125.543 1.537 . . . . 0.0 112.887 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.08 -44.35 91.89 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 122.007 0.908 . . . . 0.0 111.87 172.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.9 m -62.66 -36.1 81.77 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 171.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.6 mt -59.77 -33.74 72.07 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.529 -1.357 . . . . 0.0 114.226 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.18 -39.15 57.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 C-N-CA 124.783 1.233 . . . . 0.0 112.348 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -90.82 13.88 15.15 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.406 -1.434 . . . . 0.0 111.162 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt 63.43 45.51 4.8 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.912 1.685 . . . . 0.0 111.933 -175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.319 0.0 OUTLIER 77.94 111.1 0.07 Allowed 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.859 2.064 . . . . 0.0 110.216 -171.481 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 C--N 1.347 0.489 0 O-C-N 120.308 -1.495 . . . . 0.0 112.632 -178.713 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -70.66 -5.99 18.03 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.63 2.887 . . . . 0.0 112.403 -171.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.0 mm -58.35 -41.77 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 125.801 1.64 . . . . 0.0 110.828 168.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.45 -43.85 96.21 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.727 1.211 . . . . 0.0 112.271 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.16 99.23 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.967 -1.083 . . . . 0.0 112.713 173.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t -61.81 -42.99 99.71 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.706 -1.246 . . . . 0.0 113.377 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.3 -43.17 98.6 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.566 1.147 . . . . 0.0 113.069 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.27 97.87 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 121.014 -1.054 . . . . 0.0 113.638 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.64 98.43 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.516 -1.365 . . . . 0.0 113.816 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -68.26 -46.67 69.8 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.045 -1.66 . . . . 0.0 113.856 176.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -117.86 -9.25 10.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -163.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.41 -59.52 7.68 Favored Glycine 0 C--N 1.348 1.25 0 N-CA-C 118.383 2.113 . . . . 0.0 118.383 -173.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -80.41 -17.18 10.32 Favored 'Trans proline' 0 CA--C 1.515 -0.459 0 CA-C-N 121.627 2.714 . . . . 0.0 109.888 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -67.62 -41.79 83.36 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.117 0.967 . . . . 0.0 110.415 174.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.14 -41.32 92.48 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.453 2.301 . . . . 0.0 112.714 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -58.32 -44.88 88.83 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-O 122.176 0.989 . . . . 0.0 111.713 174.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 m -66.19 -38.56 88.32 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.12 -43.59 98.65 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.493 -1.38 . . . . 0.0 113.535 174.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.55 -40.72 85.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 124.807 1.243 . . . . 0.0 111.074 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -82.19 44.29 0.85 Allowed 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.551 -1.343 . . . . 0.0 111.379 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 59.74 39.02 21.38 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.464 2.306 . . . . 0.0 114.947 172.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt 60.66 56.37 3.04 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.162 1.385 . . . . 0.0 113.475 -175.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.35 0.609 0 O-C-N 120.284 -1.51 . . . . 0.0 114.193 178.595 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.19 -7.02 20.48 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.067 2.511 . . . . 0.0 111.952 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.4 mp -58.39 -42.95 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 126.129 1.772 . . . . 0.0 111.136 173.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.39 -45.55 92.63 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.06 -1.025 . . . . 0.0 112.581 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.5 99.54 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.878 -1.139 . . . . 0.0 112.793 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -60.87 -44.87 96.46 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.822 -1.174 . . . . 0.0 112.933 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.25 -45.22 85.48 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 121.163 -0.961 . . . . 0.0 113.007 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.39 97.07 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.03 99.75 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.567 -1.333 . . . . 0.0 114.093 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -77.06 -45.66 26.32 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 119.954 -1.716 . . . . 0.0 114.101 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -116.68 -12.83 10.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -164.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.76 -56.85 18.38 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 120.442 -1.411 . . . . 0.0 116.056 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -69.54 -3.62 12.23 Favored 'Trans proline' 0 C--N 1.331 -0.388 0 CA-C-N 121.171 2.486 . . . . 0.0 113.218 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -100.93 -9.3 21.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 119.362 0.983 . . . . 0.0 110.107 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.13 -42.06 98.87 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 125.554 1.542 . . . . 0.0 112.351 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -58.95 -41.02 86.43 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.27 1.428 . . . . 0.0 112.026 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.1 m -65.94 -40.62 91.52 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 171.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.17 -45.51 91.46 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.335 -1.478 . . . . 0.0 113.248 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.95 -37.42 77.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 C-N-CA 125.274 1.43 . . . . 0.0 112.657 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -93.22 6.34 48.39 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 120.368 -1.457 . . . . 0.0 112.918 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.7 tttt 59.4 50.55 7.52 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.892 1.277 . . . . 0.0 112.572 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 83.36 112.31 0.06 Allowed 'General case' 0 C--N 1.351 0.661 0 C-N-CA 128.603 2.761 . . . . 0.0 111.125 -171.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.349 0.565 0 O-C-N 120.569 -1.332 . . . . 0.0 112.249 -179.306 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.51 -5.9 17.74 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.594 2.863 . . . . 0.0 112.083 -176.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -58.38 -41.63 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 126.113 1.765 . . . . 0.0 110.445 167.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.42 -44.76 95.65 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.397 1.079 . . . . 0.0 112.785 177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.71 99.77 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-O 122.248 1.023 . . . . 0.0 112.676 173.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -62.31 -44.09 97.33 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.376 -1.453 . . . . 0.0 113.148 174.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.39 -44.42 96.49 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 124.464 1.105 . . . . 0.0 112.808 173.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.27 87.94 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.66 1.184 . . . . 0.0 113.024 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.42 89.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.614 -1.304 . . . . 0.0 114.443 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -75.44 -44.64 43.24 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.59 -1.944 . . . . 0.0 112.675 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.44 -15.66 14.75 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -160.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.97 -56.81 19.04 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 119.905 -1.747 . . . . 0.0 114.237 169.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.18 52.78 4.42 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.74 2.293 . . . . 0.0 110.835 167.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -145.09 -57.86 0.34 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 128.688 2.795 . . . . 0.0 104.541 166.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -52.28 -41.9 63.27 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 128.483 2.713 . . . . 0.0 114.234 -173.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -56.15 -40.84 74.48 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 122.12 0.962 . . . . 0.0 112.585 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.9 m -78.94 -17.78 54.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 120.221 -1.549 . . . . 0.0 113.755 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.37 -19.33 50.45 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 120.632 -1.293 . . . . 0.0 112.534 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.75 -39.61 77.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.662 1.185 . . . . 0.0 111.184 171.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 15.57 8.41 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.462 -1.399 . . . . 0.0 111.471 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.13 41.43 6.27 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 125.954 1.702 . . . . 0.0 111.977 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp 82.71 93.39 0.04 OUTLIER 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.33 2.652 . . . . 0.0 111.381 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.348 0.53 0 O-C-N 120.597 -1.314 . . . . 0.0 113.206 170.258 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.4 mt . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -66.36 -3.77 9.45 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.127 1.885 . . . . 0.0 113.072 166.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm -60.07 -45.84 95.1 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 C-N-CA 125.013 1.325 . . . . 0.0 111.694 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.16 -42.52 99.34 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.823 -1.173 . . . . 0.0 113.718 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.28 98.61 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.893 -1.129 . . . . 0.0 112.832 173.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -61.53 -45.08 95.71 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.641 -1.287 . . . . 0.0 112.756 174.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.48 -43.53 98.58 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.611 -1.306 . . . . 0.0 113.035 173.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.57 97.11 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 121.124 -0.985 . . . . 0.0 113.559 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.87 94.85 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.635 -1.291 . . . . 0.0 113.977 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -68.41 -44.69 74.49 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.919 -1.738 . . . . 0.0 114.269 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -118.9 -9.8 10.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -164.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.33 -58.7 6.32 Favored Glycine 0 N--CA 1.475 1.284 0 N-CA-C 118.998 2.359 . . . . 0.0 118.998 -170.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -78.4 -20.34 11.08 Favored 'Trans proline' 0 CA--C 1.515 -0.425 0 CA-C-N 121.934 2.867 . . . . 0.0 110.376 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -69.46 -42.17 75.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.964 0.905 . . . . 0.0 110.858 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.5 -43.18 99.32 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 127.047 2.139 . . . . 0.0 112.012 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -58.41 -44.06 88.88 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.995 0.918 . . . . 0.0 112.036 173.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 m -62.81 -33.69 75.75 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -70.0 -20.43 63.29 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.536 -1.352 . . . . 0.0 114.147 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.09 -39.17 71.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.299 1.04 . . . . 0.0 111.738 173.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -89.75 18.66 5.35 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.399 -1.438 . . . . 0.0 111.342 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt 65.67 39.77 4.72 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 126.537 1.935 . . . . 0.0 112.428 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 81.7 98.85 0.05 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 127.022 2.129 . . . . 0.0 109.875 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.347 0.482 0 O-C-N 120.632 -1.293 . . . . 0.0 114.146 178.3 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.1 mp . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -67.3 -5.02 12.84 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 O-C-N 117.209 -2.048 . . . . 0.0 112.766 168.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.76 -49.94 82.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 125.114 1.366 . . . . 0.0 111.484 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.7 -40.68 95.77 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.04 -1.037 . . . . 0.0 113.096 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.09 96.05 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.99 -1.069 . . . . 0.0 112.846 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.3 t -63.66 -44.18 94.55 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.31 -1.494 . . . . 0.0 113.341 172.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.78 -44.99 95.8 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.675 -1.266 . . . . 0.0 112.992 174.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -45.21 95.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 120.585 -1.322 . . . . 0.0 113.093 175.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.28 99.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -96.7 -7.99 32.6 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 119.892 -1.755 . . . . 0.0 112.943 -175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -139.81 -4.09 1.41 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.97 -56.11 9.25 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 118.291 2.076 . . . . 0.0 118.291 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -71.31 -26.81 20.3 Favored 'Trans proline' 0 CA--C 1.517 -0.35 0 CA-C-N 122.227 3.014 . . . . 0.0 111.644 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -66.21 -43.21 87.36 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 121.7 -0.625 . . . . 0.0 111.303 173.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.28 -44.37 97.35 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.901 1.68 . . . . 0.0 111.99 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.02 -44.59 91.73 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 124.142 0.977 . . . . 0.0 112.11 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.6 m -63.1 -34.09 76.86 Favored 'General case' 0 C--N 1.346 0.44 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 171.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.5 -20.66 63.71 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.666 -1.271 . . . . 0.0 114.097 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.19 -39.13 72.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 C-N-CA 124.238 1.015 . . . . 0.0 111.66 172.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -90.81 16.36 9.48 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.443 -1.411 . . . . 0.0 111.212 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt 64.96 40.67 5.13 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 126.37 1.868 . . . . 0.0 112.565 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 83.2 99.57 0.05 OUTLIER 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.187 2.195 . . . . 0.0 109.674 -176.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 C--N 1.347 0.49 0 O-C-N 120.652 -1.28 . . . . 0.0 114.152 178.417 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.449 -0.523 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.64 -5.2 14.75 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.774 2.983 . . . . 0.0 112.612 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.0 -41.48 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 126.306 1.842 . . . . 0.0 110.617 166.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.29 -45.58 92.62 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 124.394 1.077 . . . . 0.0 113.058 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.89 98.87 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.028 -1.045 . . . . 0.0 112.487 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 t -61.63 -43.5 98.74 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.767 -1.208 . . . . 0.0 113.353 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.5 -42.67 98.5 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.798 -1.189 . . . . 0.0 113.181 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.2 97.51 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 121.049 -1.032 . . . . 0.0 113.321 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.05 99.76 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.639 -1.288 . . . . 0.0 113.723 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -65.88 -43.92 86.86 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.084 -1.635 . . . . 0.0 114.371 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -121.18 -9.65 9.1 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -165.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.3 -59.44 5.21 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 119.745 2.658 . . . . 0.0 119.745 -168.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -79.61 -22.45 7.87 Favored 'Trans proline' 0 CA--C 1.516 -0.413 0 CA-C-N 122.378 3.089 . . . . 0.0 109.991 -177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -68.28 -40.33 81.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.952 1.301 . . . . 0.0 110.647 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -61.38 -43.68 98.46 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 126.672 1.989 . . . . 0.0 112.325 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -59.41 -43.62 93.0 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.933 -1.104 . . . . 0.0 111.808 173.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.9 m -63.06 -39.6 95.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 120.243 -1.536 . . . . 0.0 115.07 170.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.28 -42.73 99.6 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.17 1.35 . . . . 0.0 113.657 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.64 -39.32 79.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.821 1.249 . . . . 0.0 111.01 171.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -81.33 38.79 0.5 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.582 -1.324 . . . . 0.0 111.559 174.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? 56.05 38.82 30.32 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 128.416 2.686 . . . . 0.0 114.448 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.71 74.08 0.44 Allowed 'General case' 0 C--N 1.347 0.477 0 C-N-CA 124.798 1.239 . . . . 0.0 112.316 -171.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.8 p . . . . . 0 C--O 1.24 0.558 0 CA-C-O 123.162 1.458 . . . . 0.0 114.293 176.608 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.69 -6.4 18.97 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.321 2.681 . . . . 0.0 111.426 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.28 -42.4 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 126.921 2.088 . . . . 0.0 110.735 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.55 -45.34 93.4 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.125 -0.985 . . . . 0.0 113.101 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.34 99.69 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.377 1.084 . . . . 0.0 112.426 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -62.15 -44.69 96.07 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.349 -1.47 . . . . 0.0 113.283 174.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.87 -43.29 99.2 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.796 1.238 . . . . 0.0 112.997 173.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.77 90.6 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.318 1.047 . . . . 0.0 112.674 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.86 91.16 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.344 -1.472 . . . . 0.0 114.489 171.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -73.43 -45.09 56.48 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.441 -2.037 . . . . 0.0 113.518 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -112.69 -12.57 13.37 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -164.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.68 -56.28 9.95 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 117.377 1.711 . . . . 0.0 117.377 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -72.25 -5.68 17.61 Favored 'Trans proline' 0 C--N 1.332 -0.323 0 CA-C-N 122.039 2.919 . . . . 0.0 112.788 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -101.39 -12.12 18.85 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 119.193 0.906 . . . . 0.0 110.313 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.22 -39.4 90.13 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.565 1.946 . . . . 0.0 112.197 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -56.48 -37.23 70.06 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.67 1.588 . . . . 0.0 112.54 174.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.2 m -92.41 -11.59 34.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.75 -1.218 . . . . 0.0 112.945 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.94 -41.14 71.53 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.371 -1.456 . . . . 0.0 110.956 161.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.99 -54.08 30.91 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 120.496 -1.377 . . . . 0.0 111.341 169.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -102.08 68.48 1.11 Allowed 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 124.474 1.109 . . . . 0.0 109.461 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 16.15 72.02 0.01 OUTLIER 'General case' 0 C--N 1.352 0.679 0 C-N-CA 130.564 3.546 . . . . 0.0 118.264 166.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? 59.71 50.98 6.58 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.346 0.427 0 O-C-N 120.727 -1.233 . . . . 0.0 113.579 171.811 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -67.86 -1.94 7.76 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 124.564 3.509 . . . . 0.0 113.187 -174.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.8 mt -55.92 -41.01 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 126.524 1.93 . . . . 0.0 110.588 168.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.93 -43.48 98.75 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 121.06 -1.025 . . . . 0.0 113.727 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.16 98.77 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.778 -1.201 . . . . 0.0 112.474 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t -61.68 -43.97 97.85 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.6 -1.313 . . . . 0.0 113.166 173.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.19 -40.49 97.67 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.896 1.278 . . . . 0.0 113.077 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.93 95.89 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.679 -1.263 . . . . 0.0 113.412 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.73 87.49 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.118 -1.614 . . . . 0.0 113.815 172.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -64.63 -46.56 82.07 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.288 -1.507 . . . . 0.0 113.832 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -126.71 -26.69 3.19 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 120.845 -1.159 . . . . 0.0 113.422 -166.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.77 -57.77 5.83 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 119.206 2.443 . . . . 0.0 119.206 -170.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -75.67 -6.23 17.36 Favored 'Trans proline' 0 CA--C 1.517 -0.361 0 CA-C-N 123.157 3.479 . . . . 0.0 111.901 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -102.22 -15.97 16.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.33 1.052 . . . . 0.0 109.182 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.01 -39.45 92.28 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.796 2.438 . . . . 0.0 112.465 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -57.91 -41.67 83.12 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.45 1.1 . . . . 0.0 112.339 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 m -75.77 -25.09 56.14 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.483 -1.386 . . . . 0.0 114.247 173.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.19 -42.0 96.86 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 120.097 1.317 . . . . 0.0 112.399 169.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.98 -42.96 91.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 C-N-CA 124.755 1.222 . . . . 0.0 111.554 172.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -81.11 40.89 0.56 Allowed 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.272 -1.518 . . . . 0.0 111.953 174.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt 56.91 45.76 20.81 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 127.789 2.436 . . . . 0.0 115.619 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt 62.0 55.61 2.5 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 125.546 1.539 . . . . 0.0 113.607 -176.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 C--N 1.349 0.586 0 O-C-N 120.391 -1.443 . . . . 0.0 113.633 177.103 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -71.51 -6.3 18.87 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.507 2.805 . . . . 0.0 111.851 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.68 -41.76 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 125.842 1.657 . . . . 0.0 110.505 168.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.31 -43.3 98.22 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.088 -1.008 . . . . 0.0 112.954 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.0 98.4 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.226 1.01 . . . . 0.0 112.428 172.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -61.87 -44.59 96.52 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.517 -1.364 . . . . 0.0 113.262 173.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.09 -45.39 92.3 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.612 -1.305 . . . . 0.0 112.672 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.35 -43.91 98.08 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.375 1.07 . . . . 0.0 113.671 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.33 99.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 120.505 -1.372 . . . . 0.0 114.272 176.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -43.66 21.27 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.555 -1.341 . . . . 0.0 113.305 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -105.78 -14.32 15.27 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.539 -1.351 . . . . 0.0 113.145 -169.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.69 -53.07 14.01 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 125.591 1.567 . . . . 0.0 116.956 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -69.28 -3.94 12.7 Favored 'Trans proline' 0 C--O 1.235 0.372 0 CA-C-N 122.408 3.104 . . . . 0.0 113.01 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -111.47 -3.61 15.13 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.846 -1.159 . . . . 0.0 111.962 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.47 -44.3 91.49 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.446 -1.409 . . . . 0.0 112.378 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.59 -39.65 84.86 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.296 1.038 . . . . 0.0 111.802 172.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.99 -42.9 97.05 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.727 -1.233 . . . . 0.0 113.487 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.67 -43.71 97.33 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.738 -1.226 . . . . 0.0 113.058 177.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.03 -45.01 99.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-O 122.143 0.973 . . . . 0.0 111.833 171.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m -89.01 46.48 1.39 Allowed 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.08 -1.638 . . . . 0.0 111.879 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.2 tttt 59.92 33.73 21.55 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 168.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 84.03 2.53 0.88 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 129.302 3.041 . . . . 0.0 112.968 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.263 20.0 p . . . . . 0 C--N 1.352 0.702 0 C-N-CA 127.521 2.329 . . . . 0.0 116.792 -171.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -71.65 -5.16 16.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.601 2.867 . . . . 0.0 112.307 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.25 -41.3 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 127.347 2.259 . . . . 0.0 111.509 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.02 -43.89 97.47 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.344 -1.473 . . . . 0.0 111.993 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.33 94.26 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.986 -1.071 . . . . 0.0 113.698 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.4 p -65.84 -45.22 83.0 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.299 -1.5 . . . . 0.0 113.524 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.67 -46.12 80.32 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 174.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.2 93.93 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.825 -1.797 . . . . 0.0 113.122 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.13 92.52 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -103.51 -13.03 16.75 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.037 -1.665 . . . . 0.0 112.465 -171.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -124.85 -3.06 7.73 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 119.89 -1.756 . . . . 0.0 112.885 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.51 -55.1 11.37 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 117.679 1.832 . . . . 0.0 117.679 173.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.72 -28.39 37.14 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 CA-C-N 121.917 2.858 . . . . 0.0 112.049 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -65.34 -41.64 93.73 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 118.84 0.745 . . . . 0.0 111.971 173.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.11 -42.97 99.5 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.866 1.667 . . . . 0.0 112.271 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.39 -45.28 88.65 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.145 -0.972 . . . . 0.0 111.923 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.8 m -63.23 -37.9 89.06 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 171.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.59 -40.16 93.78 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.41 -1.431 . . . . 0.0 113.239 174.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.3 t -58.96 -36.81 63.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 C-N-CA 124.574 1.15 . . . . 0.0 112.055 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -17.69 61.89 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.9 -1.75 . . . . 0.0 113.35 174.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? 72.35 45.01 0.38 Allowed 'General case' 0 C--N 1.353 0.73 0 C-N-CA 126.876 2.07 . . . . 0.0 111.316 -167.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 86.68 101.94 0.04 OUTLIER 'General case' 0 C--N 1.351 0.64 0 C-N-CA 128.299 2.64 . . . . 0.0 109.583 -175.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.347 0.496 0 O-C-N 120.728 -1.232 . . . . 0.0 113.418 179.832 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.41 -5.08 16.26 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.482 2.788 . . . . 0.0 111.819 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.9 mm -58.04 -42.43 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 126.825 2.05 . . . . 0.0 111.625 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.8 -46.32 90.03 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 121.109 -0.994 . . . . 0.0 112.509 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.21 98.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.912 -1.118 . . . . 0.0 112.654 174.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.3 t -60.83 -44.32 97.1 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.936 -1.103 . . . . 0.0 113.053 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.85 -44.81 80.05 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.234 1.013 . . . . 0.0 113.319 171.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.4 97.18 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.51 1.124 . . . . 0.0 114.006 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.97 98.24 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.43 -1.419 . . . . 0.0 113.746 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -72.65 -48.56 38.33 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.139 -1.6 . . . . 0.0 113.442 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -113.05 -18.19 12.24 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -164.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.79 -55.91 20.97 Favored Glycine 0 C--N 1.348 1.218 0 O-C-N 120.501 -1.374 . . . . 0.0 115.86 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -69.35 -3.26 11.38 Favored 'Trans proline' 0 C--N 1.331 -0.394 0 CA-C-N 121.218 2.509 . . . . 0.0 113.522 173.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -100.86 -13.01 18.55 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.959 1.254 . . . . 0.0 110.389 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.89 -42.82 99.52 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.857 1.663 . . . . 0.0 112.426 -171.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -58.98 -41.6 87.97 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.958 1.303 . . . . 0.0 112.161 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.3 m -66.66 -39.23 88.11 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.31 -45.39 88.12 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.976 -1.077 . . . . 0.0 113.31 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.22 -36.23 71.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 C-N-CA 125.434 1.494 . . . . 0.0 112.09 176.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 p -90.18 12.79 16.91 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 120.496 -1.377 . . . . 0.0 112.256 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.254 1.9 tmtm? 73.96 24.14 2.09 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.792 1.237 . . . . 0.0 112.869 163.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 96.5 92.9 0.01 OUTLIER 'General case' 0 C--N 1.352 0.695 0 C-N-CA 130.958 3.703 . . . . 0.0 109.848 -177.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--N 1.35 0.623 0 CA-C-O 122.714 1.245 . . . . 0.0 114.219 177.297 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -64.25 -1.02 3.27 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.997 2.465 . . . . 0.0 114.485 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.7 -39.33 76.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 C-N-CA 125.997 1.719 . . . . 0.0 111.242 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.32 -44.38 95.52 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.085 -1.635 . . . . 0.0 112.995 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.0 94.06 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.969 -1.082 . . . . 0.0 113.661 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.3 p -65.34 -43.43 90.95 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.418 -1.426 . . . . 0.0 113.379 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.86 -49.58 67.61 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.914 -1.116 . . . . 0.0 113.325 172.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.02 90.93 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.587 -1.945 . . . . 0.0 113.736 -177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.44 15.24 12.68 Favored 'General case' 0 N--CA 1.446 -0.634 0 O-C-N 120.271 -1.518 . . . . 0.0 112.836 -172.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.6 -27.55 1.03 Allowed 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.697 -1.252 . . . . 0.0 111.795 168.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -118.27 -5.96 10.85 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.437 -1.415 . . . . 0.0 113.336 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.52 -55.58 9.16 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 118.054 1.982 . . . . 0.0 118.054 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -74.44 -22.19 16.4 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 CA-C-N 121.951 2.875 . . . . 0.0 111.323 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -67.68 -43.49 80.04 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 118.725 0.693 . . . . 0.0 111.009 172.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.22 -44.18 97.69 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.177 1.791 . . . . 0.0 112.046 175.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.58 -44.44 89.8 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.156 0.982 . . . . 0.0 112.17 173.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.8 m -63.55 -33.27 75.21 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 171.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.0 mt -70.01 -20.57 63.27 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.662 -1.274 . . . . 0.0 114.102 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.15 -39.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 124.254 1.022 . . . . 0.0 111.686 173.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.26 16.87 7.85 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.405 -1.434 . . . . 0.0 111.337 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt 65.1 40.78 4.88 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 126.332 1.853 . . . . 0.0 112.441 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 82.93 99.57 0.05 OUTLIER 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.099 2.16 . . . . 0.0 109.72 -176.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 C--N 1.347 0.457 0 O-C-N 120.693 -1.254 . . . . 0.0 114.208 178.604 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.72 -5.91 17.32 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 123.326 2.684 . . . . 0.0 112.458 -174.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.7 mt -59.52 -40.98 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 126.928 2.091 . . . . 0.0 111.01 168.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.08 -45.89 90.01 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.514 -1.366 . . . . 0.0 111.506 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.3 91.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.083 0.953 . . . . 0.0 113.381 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 p -64.1 -42.62 96.82 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.361 -1.462 . . . . 0.0 113.591 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.89 -42.78 89.84 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 126.05 1.74 . . . . 0.0 113.951 170.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.09 85.38 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.074 -1.641 . . . . 0.0 111.762 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.8 23.99 0.31 Allowed 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.871 -1.143 . . . . 0.0 114.062 172.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -130.08 -34.35 1.68 Allowed 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.036 -1.665 . . . . 0.0 109.871 161.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -111.61 -4.5 14.73 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.5 -56.98 6.85 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 118.397 2.119 . . . . 0.0 118.397 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -78.23 -21.63 10.37 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 CA-C-N 122.099 2.949 . . . . 0.0 110.715 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -66.92 -38.94 87.13 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.478 0.711 . . . . 0.0 111.444 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.31 -43.19 96.56 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.119 1.768 . . . . 0.0 112.296 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -59.09 -44.55 91.94 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.957 -1.089 . . . . 0.0 111.632 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.43 -36.75 85.17 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 172.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.15 -43.06 99.36 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.44 1.473 . . . . 0.0 113.334 170.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.62 -35.15 57.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 120.529 -1.357 . . . . 0.0 111.702 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 m -91.44 2.01 56.72 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 125.518 1.527 . . . . 0.0 111.341 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.251 6.2 mptt 62.35 52.7 2.99 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.85 1.66 . . . . 0.0 115.097 177.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt 85.58 58.45 0.01 OUTLIER 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.282 1.833 . . . . 0.0 112.419 172.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.7 p . . . . . 0 C--N 1.351 0.67 0 O-C-N 120.228 -1.545 . . . . 0.0 112.622 171.465 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.62 -7.19 20.75 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.02 2.48 . . . . 0.0 111.841 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp -58.21 -41.53 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 126.16 1.784 . . . . 0.0 111.113 172.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.07 -46.05 90.82 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.097 -1.002 . . . . 0.0 113.204 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.83 97.88 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.229 1.014 . . . . 0.0 112.616 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.7 t -61.41 -44.23 97.5 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.899 -1.126 . . . . 0.0 113.117 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.91 -47.3 78.27 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.225 -0.922 . . . . 0.0 112.89 171.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.36 93.64 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.996 -1.065 . . . . 0.0 113.544 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.64 -35.65 74.82 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.97 -1.081 . . . . 0.0 113.797 175.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -101.09 8.19 42.94 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.401 -1.437 . . . . 0.0 112.901 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -138.47 -16.02 1.21 Allowed 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.605 -1.309 . . . . 0.0 114.074 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.55 -57.61 6.49 Favored Glycine 0 C--N 1.35 1.351 0 N-CA-C 118.767 2.267 . . . . 0.0 118.767 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -72.72 -28.93 13.34 Favored 'Trans proline' 0 CA--C 1.518 -0.314 0 CA-C-N 122.637 3.219 . . . . 0.0 111.189 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -64.24 -38.36 90.77 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.16 0.984 . . . . 0.0 112.139 174.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.0 tp -61.44 -42.83 99.36 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 124.932 1.293 . . . . 0.0 112.863 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.65 -43.92 93.74 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.214 -0.929 . . . . 0.0 111.617 172.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.7 m -62.4 -41.26 98.53 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.616 -1.302 . . . . 0.0 114.481 171.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.74 -44.42 96.95 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.218 -1.551 . . . . 0.0 113.666 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.63 -39.46 81.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 C-N-CA 124.361 1.064 . . . . 0.0 111.32 173.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -90.76 23.09 3.24 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.738 -1.226 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt 58.86 40.7 22.46 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 126.342 1.857 . . . . 0.0 115.718 169.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 102.08 -6.48 0.02 OUTLIER 'General case' 0 C--N 1.351 0.655 0 C-N-CA 131.286 3.835 . . . . 0.0 111.704 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 31.3 p . . . . . 0 C--N 1.353 0.752 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -172.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.0 mt . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.24 -7.83 22.17 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.374 2.716 . . . . 0.0 112.236 -169.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm -59.33 -41.1 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 125.885 1.674 . . . . 0.0 110.998 168.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.39 -45.69 92.02 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.115 -0.991 . . . . 0.0 112.775 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.41 99.3 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 122.344 1.069 . . . . 0.0 112.527 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.8 t -62.09 -44.55 96.42 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.344 -1.472 . . . . 0.0 113.355 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.95 -43.26 99.28 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.885 1.274 . . . . 0.0 113.026 173.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.77 90.92 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.448 1.099 . . . . 0.0 112.676 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.02 91.07 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.421 -1.425 . . . . 0.0 114.41 171.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -73.38 -45.91 52.07 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.478 -2.014 . . . . 0.0 113.295 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -114.98 -11.97 12.07 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -163.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.11 -57.35 9.0 Favored Glycine 0 C--N 1.348 1.237 0 N-CA-C 117.606 1.803 . . . . 0.0 117.606 -176.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -72.93 -6.5 19.11 Favored 'Trans proline' 0 C--N 1.333 -0.286 0 CA-C-N 121.901 2.851 . . . . 0.0 112.38 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -99.3 -11.47 21.22 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 118.981 0.81 . . . . 0.0 110.231 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.79 -43.87 97.67 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 125.425 1.49 . . . . 0.0 111.952 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -59.97 -41.94 93.06 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 125.161 1.384 . . . . 0.0 111.932 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.7 m -63.5 -45.57 90.08 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.95 -1.094 . . . . 0.0 113.41 170.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.39 -43.05 97.03 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.557 -1.339 . . . . 0.0 113.725 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.92 -40.86 84.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 122.254 1.026 . . . . 0.0 111.271 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -85.98 34.04 0.61 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.287 -1.508 . . . . 0.0 111.6 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt 73.32 15.68 4.27 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 119.487 -2.008 . . . . 0.0 114.539 167.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm 100.18 3.7 0.02 OUTLIER 'General case' 0 C--N 1.35 0.628 1 C-N-CA 131.971 4.108 . . . . 0.0 111.505 -175.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.281 22.0 p . . . . . 0 C--N 1.353 0.734 0 C-N-CA 126.768 2.027 . . . . 0.0 115.897 -172.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.75 -6.02 18.26 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.466 2.777 . . . . 0.0 111.966 -174.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.49 -41.77 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 126.01 1.724 . . . . 0.0 110.488 169.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.06 -43.86 97.43 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 123.994 0.917 . . . . 0.0 113.015 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.97 98.82 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 122.223 1.011 . . . . 0.0 112.676 172.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.738 -1.226 . . . . 0.0 113.692 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.06 -44.05 90.26 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.907 -1.121 . . . . 0.0 113.07 170.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.76 96.09 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.823 1.249 . . . . 0.0 113.716 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.65 98.56 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.564 -1.335 . . . . 0.0 114.024 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -71.99 -45.38 61.17 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -107.36 -14.56 14.84 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.826 -1.171 . . . . 0.0 113.156 -168.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.61 -54.0 11.87 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 117.393 1.717 . . . . 0.0 117.393 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.29 -7.0 20.41 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 CA-C-N 122.714 3.257 . . . . 0.0 112.398 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -108.1 -3.9 18.22 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 119.263 0.938 . . . . 0.0 111.998 173.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.16 -44.9 90.69 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.475 -1.39 . . . . 0.0 111.175 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -59.77 -40.25 87.56 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.611 1.564 . . . . 0.0 111.897 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.5 m -63.61 -45.37 90.63 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.011 -1.056 . . . . 0.0 113.56 171.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.62 -42.92 97.8 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.751 -1.218 . . . . 0.0 113.378 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.48 -43.64 97.17 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-O 122.229 1.014 . . . . 0.0 111.507 170.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -87.38 48.02 1.59 Allowed 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.133 -1.604 . . . . 0.0 111.776 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.8 tttt 64.99 24.38 12.63 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.063 -1.648 . . . . 0.0 115.14 169.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 83.55 8.16 0.63 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 129.098 2.959 . . . . 0.0 112.367 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.267 19.1 p . . . . . 0 C--N 1.352 0.712 0 C-N-CA 127.976 2.51 . . . . 0.0 116.557 -171.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 . . . . . 0 N--CA 1.443 -0.821 0 CA-C-O 122.298 1.047 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 2' ' ' LEU . 2.1 pt? -98.07 8.55 0.06 OUTLIER Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 119.118 3.007 . . . . 0.0 119.118 -175.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -72.27 -8.53 22.9 Favored 'Trans proline' 0 C--N 1.351 0.702 1 CA-C-N 129.284 4.351 . . . . 0.0 112.976 -168.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.4 mt -61.67 -41.02 88.77 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 C-N-CA 125.772 1.629 . . . . 0.0 110.943 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.65 -43.67 96.1 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 120.397 -1.439 . . . . 0.0 111.038 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.8 92.4 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.3 p -65.35 -42.62 92.63 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.285 -1.51 . . . . 0.0 113.42 177.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.82 -46.19 89.12 Favored 'General case' 0 C--N 1.35 0.621 0 O-C-N 121.057 -1.027 . . . . 0.0 112.906 171.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.46 96.91 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 119.851 -1.78 . . . . 0.0 113.109 176.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.85 -13.9 60.62 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 120.335 -1.478 . . . . 0.0 114.563 -177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -18.28 7.08 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.957 -1.714 . . . . 0.0 113.341 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -120.56 -8.57 9.53 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 119.99 -1.694 . . . . 0.0 112.799 178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.29 -54.71 11.95 Favored Glycine 0 C--N 1.351 1.369 0 N-CA-C 117.058 1.583 . . . . 0.0 117.058 173.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.74 -18.86 24.7 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 CA-C-N 122.082 2.941 . . . . 0.0 111.917 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.6 mttp -69.58 -42.62 74.23 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 119.336 0.971 . . . . 0.0 111.516 169.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.89 -47.05 86.3 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 126.123 1.769 . . . . 0.0 113.828 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -61.36 -42.52 98.84 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 121.075 -1.016 . . . . 0.0 112.579 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.8 m -66.3 -37.74 86.11 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 171.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.04 -42.52 99.26 Favored 'General case' 0 C--N 1.347 0.471 0 O-C-N 120.956 -1.09 . . . . 0.0 113.322 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -59.77 -43.76 92.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.29 1.036 . . . . 0.0 111.445 173.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.9 m -80.79 50.59 1.37 Allowed 'General case' 0 C--N 1.348 0.508 0 O-C-N 120.367 -1.458 . . . . 0.0 111.578 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? 56.62 38.18 29.39 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 128.06 2.544 . . . . 0.0 114.253 170.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 57.82 69.81 0.71 Allowed 'General case' 0 C--N 1.349 0.574 0 O-C-N 120.757 -1.215 . . . . 0.0 113.689 -170.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.24 0.576 0 O-C-N 120.088 -1.632 . . . . 0.0 114.326 176.895 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 38.4 t80 . . . . . 0 N--CA 1.437 -1.11 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mp -112.27 61.43 0.6 Allowed Pre-proline 0 C--N 1.349 0.571 0 O-C-N 120.478 -1.388 . . . . 0.0 113.44 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -71.56 -9.43 25.07 Favored 'Trans proline' 0 C--N 1.345 0.375 0 CA-C-N 124.42 2.614 . . . . 0.0 111.474 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.504 ' H ' HD12 ' A' ' 4' ' ' ILE . 3.7 mp -59.12 -41.54 83.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 C-N-CA 126.055 1.742 . . . . 0.0 111.159 171.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.4 tp -62.0 -46.86 87.37 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.236 -0.915 . . . . 0.0 112.966 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.33 99.1 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.369 1.081 . . . . 0.0 112.676 173.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.5 t -61.17 -44.05 97.91 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 120.822 -1.174 . . . . 0.0 113.322 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.9 mt -66.7 -45.74 77.84 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.296 1.039 . . . . 0.0 113.373 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.62 -43.24 93.87 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.83 -1.169 . . . . 0.0 113.293 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.81 -33.49 71.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -99.22 -6.98 27.15 Favored 'General case' 0 C--N 1.347 0.464 0 O-C-N 120.127 -1.608 . . . . 0.0 112.879 -174.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -143.68 -2.49 0.95 Allowed 'General case' 0 C--N 1.349 0.584 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -172.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.86 -57.07 8.03 Favored Glycine 0 C--N 1.351 1.375 0 N-CA-C 118.211 2.044 . . . . 0.0 118.211 178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -75.73 -24.11 12.01 Favored 'Trans proline' 0 CA--C 1.516 -0.392 0 CA-C-N 122.124 2.962 . . . . 0.0 110.681 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -65.86 -38.79 89.76 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.741 0.817 . . . . 0.0 111.723 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.87 -44.35 97.18 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 125.234 1.414 . . . . 0.0 112.338 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -59.92 -43.71 94.73 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 122.241 1.019 . . . . 0.0 111.83 173.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.6 m -61.55 -44.41 97.09 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.454 -1.404 . . . . 0.0 113.949 170.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.64 -42.18 96.44 Favored 'General case' 0 C--N 1.348 0.509 0 O-C-N 120.144 -1.597 . . . . 0.0 114.06 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.1 t -59.36 -39.49 79.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 122.461 1.124 . . . . 0.0 111.031 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.0 m -85.73 28.38 0.78 Allowed 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.592 -1.318 . . . . 0.0 111.519 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt 63.15 32.63 15.0 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 119.275 -2.141 . . . . 0.0 114.957 172.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? 89.16 11.38 0.08 Allowed 'General case' 0 C--N 1.35 0.592 0 C-N-CA 131.334 3.854 . . . . 0.0 112.034 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.259 32.1 p . . . . . 0 C--N 1.352 0.702 0 C-N-CA 126.864 2.065 . . . . 0.0 116.167 -173.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 N--CA 1.437 -1.122 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.28 144.81 91.21 Favored Pre-proline 0 CA--C 1.539 0.535 0 O-C-N 120.414 -1.429 . . . . 0.0 112.937 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.72 -5.22 15.65 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.87 3.046 . . . . 0.0 113.042 -170.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.1 mm -58.63 -40.54 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 125.529 1.532 . . . . 0.0 110.835 167.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.7 tp -62.39 -43.3 99.14 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 121.096 -1.003 . . . . 0.0 112.856 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.38 99.31 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 121.011 -1.056 . . . . 0.0 112.892 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.0 t -62.35 -44.29 96.83 Favored 'General case' 0 C--N 1.349 0.566 0 O-C-N 120.699 -1.251 . . . . 0.0 113.17 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.29 -45.09 94.81 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.405 -1.434 . . . . 0.0 112.941 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.68 -46.28 90.39 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 119.751 -1.843 . . . . 0.0 113.084 175.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.78 -40.23 94.9 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -110.32 -10.52 14.6 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 120.269 -1.519 . . . . 0.0 113.351 -172.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -122.27 -7.82 8.73 Favored 'General case' 0 C--N 1.346 0.428 0 O-C-N 119.844 -1.785 . . . . 0.0 112.222 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.67 -56.9 9.04 Favored Glycine 0 C--N 1.352 1.424 0 N-CA-C 118.023 1.969 . . . . 0.0 118.023 177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -69.18 -29.41 26.7 Favored 'Trans proline' 0 CA--C 1.517 -0.329 0 CA-C-N 122.098 2.949 . . . . 0.0 111.437 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -64.81 -39.7 94.01 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 121.741 -0.599 . . . . 0.0 112.137 174.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.02 -43.3 99.08 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 126.274 1.83 . . . . 0.0 112.406 175.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -59.25 -44.21 92.39 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 120.921 -1.112 . . . . 0.0 111.791 173.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -63.06 -39.33 94.4 Favored 'General case' 0 C--N 1.346 0.449 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 172.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.1 -44.66 88.11 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 120.79 -1.194 . . . . 0.0 114.158 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.5 t -62.52 -42.93 97.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 O-C-N 120.778 -1.201 . . . . 0.0 111.578 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.0 m -61.35 -46.1 91.65 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.889 -1.132 . . . . 0.0 111.631 171.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 93.87 88.92 0.01 OUTLIER 'General case' 0 C--N 1.349 0.56 0 C-N-CA 130.42 3.488 . . . . 0.0 109.663 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt 62.3 51.32 3.47 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.933 1.293 . . . . 0.0 114.001 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.353 0.719 0 N-CA-C 115.535 1.679 . . . . 0.0 115.535 -176.779 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 19.8 t80 . . . . . 0 N--CA 1.437 -1.117 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.48 144.83 91.89 Favored Pre-proline 0 CA--C 1.541 0.611 0 O-C-N 120.324 -1.485 . . . . 0.0 113.608 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.01 -2.67 10.05 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 124.315 3.343 . . . . 0.0 113.168 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.05 -40.98 76.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 C-N-CA 126.103 1.761 . . . . 0.0 111.16 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.1 mt -62.35 -44.48 96.38 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 120.934 -1.104 . . . . 0.0 113.462 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.63 99.59 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 121.014 -1.054 . . . . 0.0 112.588 173.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 t -60.97 -44.77 96.85 Favored 'General case' 0 C--N 1.348 0.519 0 O-C-N 120.886 -1.133 . . . . 0.0 112.841 174.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.83 -46.38 82.19 Favored 'General case' 0 C--N 1.348 0.514 0 O-C-N 120.623 -1.298 . . . . 0.0 113.151 171.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.22 95.32 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.526 -1.359 . . . . 0.0 113.75 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.36 98.58 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.503 1.298 . . . . 0.0 114.503 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -104.39 -2.91 24.78 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.291 -1.506 . . . . 0.0 113.224 -171.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -140.48 -3.29 1.34 Allowed 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.897 -1.127 . . . . 0.0 113.865 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.59 -56.12 10.06 Favored Glycine 0 C--N 1.35 1.326 0 N-CA-C 118.215 2.046 . . . . 0.0 118.215 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -69.85 -27.74 25.67 Favored 'Trans proline' 0 CA--C 1.518 -0.302 0 CA-C-N 122.146 2.973 . . . . 0.0 111.679 178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -65.93 -42.26 90.29 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 121.671 -0.643 . . . . 0.0 111.478 173.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.8 tp -61.8 -42.32 98.86 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 125.543 1.537 . . . . 0.0 112.887 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -59.08 -44.35 91.89 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 122.007 0.908 . . . . 0.0 111.87 172.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 75.9 m -62.66 -36.1 81.77 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 171.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 72.6 mt -59.77 -33.74 72.07 Favored 'General case' 0 C--N 1.35 0.606 0 O-C-N 120.529 -1.357 . . . . 0.0 114.226 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.8 t -56.18 -39.15 57.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 C-N-CA 124.783 1.233 . . . . 0.0 112.348 176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -90.82 13.88 15.15 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.406 -1.434 . . . . 0.0 111.162 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt 63.43 45.51 4.8 Favored 'General case' 0 C--N 1.353 0.735 0 C-N-CA 125.912 1.685 . . . . 0.0 111.933 -175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.319 0.0 OUTLIER 77.94 111.1 0.07 Allowed 'General case' 0 C--N 1.352 0.713 0 C-N-CA 126.859 2.064 . . . . 0.0 110.216 -171.481 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.1 p . . . . . 0 C--N 1.347 0.489 0 O-C-N 120.308 -1.495 . . . . 0.0 112.632 -178.713 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 7.5 t80 . . . . . 0 N--CA 1.437 -1.078 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.11 143.4 92.3 Favored Pre-proline 0 CA--C 1.54 0.591 0 O-C-N 120.005 -1.684 . . . . 0.0 113.428 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -70.66 -5.99 18.03 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.63 2.887 . . . . 0.0 112.403 -171.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.0 mm -58.35 -41.77 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 125.801 1.64 . . . . 0.0 110.828 168.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.45 -43.85 96.21 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 124.727 1.211 . . . . 0.0 112.271 178.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.16 99.23 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.967 -1.083 . . . . 0.0 112.713 173.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t -61.81 -42.99 99.71 Favored 'General case' 0 C--N 1.348 0.517 0 O-C-N 120.706 -1.246 . . . . 0.0 113.377 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.3 -43.17 98.6 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.566 1.147 . . . . 0.0 113.069 171.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.27 97.87 Favored 'General case' 0 C--N 1.347 0.49 0 O-C-N 121.014 -1.054 . . . . 0.0 113.638 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.64 98.43 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.516 -1.365 . . . . 0.0 113.816 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -68.26 -46.67 69.8 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.045 -1.66 . . . . 0.0 113.856 176.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -117.86 -9.25 10.68 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -163.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.41 -59.52 7.68 Favored Glycine 0 C--N 1.348 1.25 0 N-CA-C 118.383 2.113 . . . . 0.0 118.383 -173.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -80.41 -17.18 10.32 Favored 'Trans proline' 0 CA--C 1.515 -0.459 0 CA-C-N 121.627 2.714 . . . . 0.0 109.888 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -67.62 -41.79 83.36 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.117 0.967 . . . . 0.0 110.415 174.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.14 -41.32 92.48 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 127.453 2.301 . . . . 0.0 112.714 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -58.32 -44.88 88.83 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-O 122.176 0.989 . . . . 0.0 111.713 174.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.8 m -66.19 -38.56 88.32 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 115.041 1.497 . . . . 0.0 115.041 170.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.12 -43.59 98.65 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 120.493 -1.38 . . . . 0.0 113.535 174.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.55 -40.72 85.36 Favored 'Isoleucine or valine' 0 C--N 1.352 0.693 0 C-N-CA 124.807 1.243 . . . . 0.0 111.074 171.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 m -82.19 44.29 0.85 Allowed 'General case' 0 C--N 1.346 0.448 0 O-C-N 120.551 -1.343 . . . . 0.0 111.379 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.5 tttp 59.74 39.02 21.38 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.464 2.306 . . . . 0.0 114.947 172.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt 60.66 56.37 3.04 Favored 'General case' 0 C--N 1.349 0.553 0 C-N-CA 125.162 1.385 . . . . 0.0 113.475 -175.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.1 p . . . . . 0 C--N 1.35 0.609 0 O-C-N 120.284 -1.51 . . . . 0.0 114.193 178.595 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 N--CA 1.442 -0.851 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -112.97 65.0 0.89 Allowed Pre-proline 0 C--N 1.348 0.539 0 O-C-N 120.917 -1.114 . . . . 0.0 113.007 175.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.19 -7.02 20.48 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.067 2.511 . . . . 0.0 111.952 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.4 mp -58.39 -42.95 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 126.129 1.772 . . . . 0.0 111.136 173.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.39 -45.55 92.63 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 121.06 -1.025 . . . . 0.0 112.581 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.5 99.54 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.878 -1.139 . . . . 0.0 112.793 174.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -60.87 -44.87 96.46 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.822 -1.174 . . . . 0.0 112.933 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.25 -45.22 85.48 Favored 'General case' 0 C--N 1.348 0.516 0 O-C-N 121.163 -0.961 . . . . 0.0 113.007 172.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.39 97.07 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.25 -43.03 99.75 Favored 'General case' 0 C--N 1.346 0.431 0 O-C-N 120.567 -1.333 . . . . 0.0 114.093 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -77.06 -45.66 26.32 Favored 'General case' 0 C--N 1.346 0.453 0 O-C-N 119.954 -1.716 . . . . 0.0 114.101 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -116.68 -12.83 10.84 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -164.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.76 -56.85 18.38 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 120.442 -1.411 . . . . 0.0 116.056 176.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -69.54 -3.62 12.23 Favored 'Trans proline' 0 C--N 1.331 -0.388 0 CA-C-N 121.171 2.486 . . . . 0.0 113.218 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -100.93 -9.3 21.67 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 119.362 0.983 . . . . 0.0 110.107 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.13 -42.06 98.87 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 125.554 1.542 . . . . 0.0 112.351 -175.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -58.95 -41.02 86.43 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.27 1.428 . . . . 0.0 112.026 176.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.1 m -65.94 -40.62 91.52 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 171.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.17 -45.51 91.46 Favored 'General case' 0 C--N 1.347 0.475 0 O-C-N 120.335 -1.478 . . . . 0.0 113.248 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.1 t -60.95 -37.42 77.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.613 0 C-N-CA 125.274 1.43 . . . . 0.0 112.657 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 p -93.22 6.34 48.39 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 120.368 -1.457 . . . . 0.0 112.918 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.7 tttt 59.4 50.55 7.52 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.892 1.277 . . . . 0.0 112.572 -179.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . 0.342 0.0 OUTLIER 83.36 112.31 0.06 Allowed 'General case' 0 C--N 1.351 0.661 0 C-N-CA 128.603 2.761 . . . . 0.0 111.125 -171.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.349 0.565 0 O-C-N 120.569 -1.332 . . . . 0.0 112.249 -179.306 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 122.12 0.962 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.57 142.05 94.44 Favored Pre-proline 0 N--CA 1.447 -0.624 0 C-N-CA 124.793 1.237 . . . . 0.0 113.953 -174.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -70.51 -5.9 17.74 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.594 2.863 . . . . 0.0 112.083 -176.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -58.38 -41.63 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 126.113 1.765 . . . . 0.0 110.445 167.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 76.8 mt -62.42 -44.76 95.65 Favored 'General case' 0 C--N 1.351 0.646 0 C-N-CA 124.397 1.079 . . . . 0.0 112.785 177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.67 -42.71 99.77 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-O 122.248 1.023 . . . . 0.0 112.676 173.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.9 t -62.31 -44.09 97.33 Favored 'General case' 0 C--N 1.35 0.594 0 O-C-N 120.376 -1.453 . . . . 0.0 113.148 174.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.39 -44.42 96.49 Favored 'General case' 0 C--N 1.35 0.61 0 C-N-CA 124.464 1.105 . . . . 0.0 112.808 173.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.27 87.94 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.66 1.184 . . . . 0.0 113.024 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.42 89.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 120.614 -1.304 . . . . 0.0 114.443 173.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -75.44 -44.64 43.24 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 119.59 -1.944 . . . . 0.0 112.675 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -106.44 -15.66 14.75 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -160.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.97 -56.81 19.04 Favored Glycine 0 C--N 1.347 1.174 0 O-C-N 119.905 -1.747 . . . . 0.0 114.237 169.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -79.18 52.78 4.42 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.74 2.293 . . . . 0.0 110.835 167.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 mmtm -145.09 -57.86 0.34 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 128.688 2.795 . . . . 0.0 104.541 166.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -52.28 -41.9 63.27 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 128.483 2.713 . . . . 0.0 114.234 -173.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -56.15 -40.84 74.48 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 122.12 0.962 . . . . 0.0 112.585 176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.9 m -78.94 -17.78 54.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 120.221 -1.549 . . . . 0.0 113.755 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.1 mt -79.37 -19.33 50.45 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 120.632 -1.293 . . . . 0.0 112.534 177.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.75 -39.61 77.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.662 1.185 . . . . 0.0 111.184 171.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 15.57 8.41 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.462 -1.399 . . . . 0.0 111.471 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.13 41.43 6.27 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 125.954 1.702 . . . . 0.0 111.977 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp 82.71 93.39 0.04 OUTLIER 'General case' 0 C--N 1.352 0.682 0 C-N-CA 128.33 2.652 . . . . 0.0 111.381 -174.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.348 0.53 0 O-C-N 120.597 -1.314 . . . . 0.0 113.206 170.258 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 N--CA 1.442 -0.872 0 CA-C-O 121.542 0.686 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.4 mt 57.13 -179.63 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 126.642 1.977 . . . . 0.0 115.306 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -66.36 -3.77 9.45 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.127 1.885 . . . . 0.0 113.072 166.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.4 mm -60.07 -45.84 95.1 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 C-N-CA 125.013 1.325 . . . . 0.0 111.694 172.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.16 -42.52 99.34 Favored 'General case' 0 C--N 1.353 0.755 0 O-C-N 120.823 -1.173 . . . . 0.0 113.718 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.28 98.61 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 120.893 -1.129 . . . . 0.0 112.832 173.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.2 t -61.53 -45.08 95.71 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.641 -1.287 . . . . 0.0 112.756 174.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.48 -43.53 98.58 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 120.611 -1.306 . . . . 0.0 113.035 173.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.57 97.11 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 121.124 -0.985 . . . . 0.0 113.559 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.98 -44.87 94.85 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 120.635 -1.291 . . . . 0.0 113.977 175.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -68.41 -44.69 74.49 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 119.919 -1.738 . . . . 0.0 114.269 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -118.9 -9.8 10.02 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 -164.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.33 -58.7 6.32 Favored Glycine 0 N--CA 1.475 1.284 0 N-CA-C 118.998 2.359 . . . . 0.0 118.998 -170.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -78.4 -20.34 11.08 Favored 'Trans proline' 0 CA--C 1.515 -0.425 0 CA-C-N 121.934 2.867 . . . . 0.0 110.376 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -69.46 -42.17 75.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.964 0.905 . . . . 0.0 110.858 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.5 -43.18 99.32 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 127.047 2.139 . . . . 0.0 112.012 173.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -58.41 -44.06 88.88 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 123.995 0.918 . . . . 0.0 112.036 173.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.6 m -62.81 -33.69 75.75 Favored 'General case' 0 C--N 1.347 0.487 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.3 mt -70.0 -20.43 63.29 Favored 'General case' 0 C--N 1.347 0.462 0 O-C-N 120.536 -1.352 . . . . 0.0 114.147 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.09 -39.17 71.5 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.299 1.04 . . . . 0.0 111.738 173.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -89.75 18.66 5.35 Favored 'General case' 0 C--N 1.347 0.461 0 O-C-N 120.399 -1.438 . . . . 0.0 111.342 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt 65.67 39.77 4.72 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 126.537 1.935 . . . . 0.0 112.428 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 81.7 98.85 0.05 Allowed 'General case' 0 C--N 1.351 0.646 0 C-N-CA 127.022 2.129 . . . . 0.0 109.875 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.347 0.482 0 O-C-N 120.632 -1.293 . . . . 0.0 114.146 178.3 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 . . . . . 0 N--CA 1.439 -0.975 0 CA-C-O 122.113 0.959 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.1 mp 61.37 178.86 0.04 OUTLIER Pre-proline 0 C--N 1.355 0.814 0 C-N-CA 125.48 1.512 . . . . 0.0 113.856 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -67.3 -5.02 12.84 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 O-C-N 117.209 -2.048 . . . . 0.0 112.766 168.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.76 -49.94 82.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.548 0 C-N-CA 125.114 1.366 . . . . 0.0 111.484 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.7 -40.68 95.77 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.04 -1.037 . . . . 0.0 113.096 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.09 96.05 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 120.99 -1.069 . . . . 0.0 112.846 173.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.3 t -63.66 -44.18 94.55 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 120.31 -1.494 . . . . 0.0 113.341 172.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.78 -44.99 95.8 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.675 -1.266 . . . . 0.0 112.992 174.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.13 -45.21 95.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 O-C-N 120.585 -1.322 . . . . 0.0 113.093 175.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.28 99.05 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 114.984 1.475 . . . . 0.0 114.984 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -96.7 -7.99 32.6 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 119.892 -1.755 . . . . 0.0 112.943 -175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -139.81 -4.09 1.41 Allowed 'General case' 0 C--N 1.35 0.624 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.97 -56.11 9.25 Favored Glycine 0 C--N 1.35 1.31 0 N-CA-C 118.291 2.076 . . . . 0.0 118.291 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -71.31 -26.81 20.3 Favored 'Trans proline' 0 CA--C 1.517 -0.35 0 CA-C-N 122.227 3.014 . . . . 0.0 111.644 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mttt -66.21 -43.21 87.36 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 121.7 -0.625 . . . . 0.0 111.303 173.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.28 -44.37 97.35 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 125.901 1.68 . . . . 0.0 111.99 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.02 -44.59 91.73 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 124.142 0.977 . . . . 0.0 112.11 173.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 50.6 m -63.1 -34.09 76.86 Favored 'General case' 0 C--N 1.346 0.44 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 171.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.0 mt -69.5 -20.66 63.71 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.666 -1.271 . . . . 0.0 114.097 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.19 -39.13 72.05 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 C-N-CA 124.238 1.015 . . . . 0.0 111.66 172.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -90.81 16.36 9.48 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.443 -1.411 . . . . 0.0 111.212 178.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.3 ttmt 64.96 40.67 5.13 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 126.37 1.868 . . . . 0.0 112.565 -176.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 83.2 99.57 0.05 OUTLIER 'General case' 0 C--N 1.352 0.675 0 C-N-CA 127.187 2.195 . . . . 0.0 109.674 -176.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 C--N 1.347 0.49 0 O-C-N 120.652 -1.28 . . . . 0.0 114.152 178.417 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 N--CA 1.444 -0.737 0 CA-C-O 122.127 0.965 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mp -61.71 145.55 91.74 Favored Pre-proline 0 N--CA 1.449 -0.523 0 C-N-CA 124.711 1.204 . . . . 0.0 112.81 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.64 -5.2 14.75 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.774 2.983 . . . . 0.0 112.612 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.0 -41.48 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 C-N-CA 126.306 1.842 . . . . 0.0 110.617 166.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.0 tp -62.29 -45.58 92.62 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 124.394 1.077 . . . . 0.0 113.058 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.89 98.87 Favored 'General case' 0 C--N 1.349 0.567 0 O-C-N 121.028 -1.045 . . . . 0.0 112.487 173.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 t -61.63 -43.5 98.74 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.767 -1.208 . . . . 0.0 113.353 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.5 mt -63.5 -42.67 98.5 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.798 -1.189 . . . . 0.0 113.181 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -44.2 97.51 Favored 'General case' 0 C--N 1.347 0.485 0 O-C-N 121.049 -1.032 . . . . 0.0 113.321 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.5 -43.05 99.76 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.639 -1.288 . . . . 0.0 113.723 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.9 mttt -65.88 -43.92 86.86 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 120.084 -1.635 . . . . 0.0 114.371 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -121.18 -9.65 9.1 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -165.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.3 -59.44 5.21 Favored Glycine 0 N--CA 1.475 1.286 0 N-CA-C 119.745 2.658 . . . . 0.0 119.745 -168.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -79.61 -22.45 7.87 Favored 'Trans proline' 0 CA--C 1.516 -0.413 0 CA-C-N 122.378 3.089 . . . . 0.0 109.991 -177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -68.28 -40.33 81.87 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.952 1.301 . . . . 0.0 110.647 175.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -61.38 -43.68 98.46 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 126.672 1.989 . . . . 0.0 112.325 172.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -59.41 -43.62 93.0 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.933 -1.104 . . . . 0.0 111.808 173.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.9 m -63.06 -39.6 95.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 120.243 -1.536 . . . . 0.0 115.07 170.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 75.6 mt -62.28 -42.73 99.6 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.17 1.35 . . . . 0.0 113.657 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.64 -39.32 79.23 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.821 1.249 . . . . 0.0 111.01 171.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -81.33 38.79 0.5 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.582 -1.324 . . . . 0.0 111.559 174.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? 56.05 38.82 30.32 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 128.416 2.686 . . . . 0.0 114.448 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.71 74.08 0.44 Allowed 'General case' 0 C--N 1.347 0.477 0 C-N-CA 124.798 1.239 . . . . 0.0 112.316 -171.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.8 p . . . . . 0 C--O 1.24 0.558 0 CA-C-O 123.162 1.458 . . . . 0.0 114.293 176.608 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 p90 . . . . . 0 N--CA 1.444 -0.751 0 CA-C-O 121.855 0.836 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mp -110.61 67.06 0.51 Allowed Pre-proline 0 C--N 1.347 0.489 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -70.69 -6.4 18.97 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.321 2.681 . . . . 0.0 111.426 177.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.28 -42.4 83.56 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 126.921 2.088 . . . . 0.0 110.735 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.55 -45.34 93.4 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 121.125 -0.985 . . . . 0.0 113.101 178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.34 99.69 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-O 122.377 1.084 . . . . 0.0 112.426 173.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -62.15 -44.69 96.07 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.349 -1.47 . . . . 0.0 113.283 174.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.87 -43.29 99.2 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 124.796 1.238 . . . . 0.0 112.997 173.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.77 90.6 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 124.318 1.047 . . . . 0.0 112.674 175.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.96 -39.86 91.16 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 120.344 -1.472 . . . . 0.0 114.489 171.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -73.43 -45.09 56.48 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 119.441 -2.037 . . . . 0.0 113.518 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -112.69 -12.57 13.37 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -164.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.68 -56.28 9.95 Favored Glycine 0 C--N 1.347 1.17 0 N-CA-C 117.377 1.711 . . . . 0.0 117.377 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -72.25 -5.68 17.61 Favored 'Trans proline' 0 C--N 1.332 -0.323 0 CA-C-N 122.039 2.919 . . . . 0.0 112.788 177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -101.39 -12.12 18.85 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 119.193 0.906 . . . . 0.0 110.313 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.22 -39.4 90.13 Favored 'General case' 0 C--N 1.352 0.715 0 C-N-CA 126.565 1.946 . . . . 0.0 112.197 -174.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -56.48 -37.23 70.06 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.67 1.588 . . . . 0.0 112.54 174.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.2 m -92.41 -11.59 34.42 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.75 -1.218 . . . . 0.0 112.945 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.4 mt -70.94 -41.14 71.53 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.371 -1.456 . . . . 0.0 110.956 161.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.99 -54.08 30.91 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 120.496 -1.377 . . . . 0.0 111.341 169.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.5 m -102.08 68.48 1.11 Allowed 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 124.474 1.109 . . . . 0.0 109.461 -175.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 16.15 72.02 0.01 OUTLIER 'General case' 0 C--N 1.352 0.679 0 C-N-CA 130.564 3.546 . . . . 0.0 118.264 166.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? 59.71 50.98 6.58 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.346 0.427 0 O-C-N 120.727 -1.233 . . . . 0.0 113.579 171.811 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 21.0 t80 . . . . . 0 N--CA 1.436 -1.126 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 10.3 mp -61.54 146.03 90.45 Favored Pre-proline 0 CA--C 1.541 0.622 0 O-C-N 120.36 -1.462 . . . . 0.0 113.903 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -67.86 -1.94 7.76 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 124.564 3.509 . . . . 0.0 113.187 -174.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.8 mt -55.92 -41.01 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 C-N-CA 126.524 1.93 . . . . 0.0 110.588 168.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.93 -43.48 98.75 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 121.06 -1.025 . . . . 0.0 113.727 176.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.16 98.77 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.778 -1.201 . . . . 0.0 112.474 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 t -61.68 -43.97 97.85 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.6 -1.313 . . . . 0.0 113.166 173.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.7 mt -63.19 -40.49 97.67 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 124.896 1.278 . . . . 0.0 113.077 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.93 95.89 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 120.679 -1.263 . . . . 0.0 113.412 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.07 -45.73 87.49 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.118 -1.614 . . . . 0.0 113.815 172.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.8 mttt -64.63 -46.56 82.07 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.288 -1.507 . . . . 0.0 113.832 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -126.71 -26.69 3.19 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 120.845 -1.159 . . . . 0.0 113.422 -166.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.77 -57.77 5.83 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 119.206 2.443 . . . . 0.0 119.206 -170.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -75.67 -6.23 17.36 Favored 'Trans proline' 0 CA--C 1.517 -0.361 0 CA-C-N 123.157 3.479 . . . . 0.0 111.901 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -102.22 -15.97 16.48 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.33 1.052 . . . . 0.0 109.182 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.01 -39.45 92.28 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 127.796 2.438 . . . . 0.0 112.465 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -57.91 -41.67 83.12 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.45 1.1 . . . . 0.0 112.339 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 m -75.77 -25.09 56.14 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.483 -1.386 . . . . 0.0 114.247 173.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.19 -42.0 96.86 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 120.097 1.317 . . . . 0.0 112.399 169.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.3 t -59.98 -42.96 91.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 C-N-CA 124.755 1.222 . . . . 0.0 111.554 172.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m -81.11 40.89 0.56 Allowed 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.272 -1.518 . . . . 0.0 111.953 174.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt 56.91 45.76 20.81 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 127.789 2.436 . . . . 0.0 115.619 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt 62.0 55.61 2.5 Favored 'General case' 0 C--N 1.348 0.533 0 C-N-CA 125.546 1.539 . . . . 0.0 113.607 -176.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 C--N 1.349 0.586 0 O-C-N 120.391 -1.443 . . . . 0.0 113.633 177.103 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 N--CA 1.441 -0.925 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.49 138.81 97.02 Favored Pre-proline 0 C--N 1.348 0.541 0 O-C-N 119.809 -1.807 . . . . 0.0 113.039 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -71.51 -6.3 18.87 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.507 2.805 . . . . 0.0 111.851 -176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.2 mt -58.68 -41.76 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 125.842 1.657 . . . . 0.0 110.505 168.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.31 -43.3 98.22 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.088 -1.008 . . . . 0.0 112.954 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.0 98.4 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.226 1.01 . . . . 0.0 112.428 172.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.7 t -61.87 -44.59 96.52 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.517 -1.364 . . . . 0.0 113.262 173.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.09 -45.39 92.3 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.612 -1.305 . . . . 0.0 112.672 173.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.35 -43.91 98.08 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.375 1.07 . . . . 0.0 113.671 177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.33 99.04 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 120.505 -1.372 . . . . 0.0 114.272 176.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -43.66 21.27 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 120.555 -1.341 . . . . 0.0 113.305 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -105.78 -14.32 15.27 Favored 'General case' 0 C--N 1.347 0.465 0 O-C-N 120.539 -1.351 . . . . 0.0 113.145 -169.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.69 -53.07 14.01 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 125.591 1.567 . . . . 0.0 116.956 172.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -69.28 -3.94 12.7 Favored 'Trans proline' 0 C--O 1.235 0.372 0 CA-C-N 122.408 3.104 . . . . 0.0 113.01 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -111.47 -3.61 15.13 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 120.846 -1.159 . . . . 0.0 111.962 171.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.47 -44.3 91.49 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 120.446 -1.409 . . . . 0.0 112.378 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -59.59 -39.65 84.86 Favored 'General case' 0 C--N 1.349 0.583 0 C-N-CA 124.296 1.038 . . . . 0.0 111.802 172.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.99 -42.9 97.05 Favored 'General case' 0 C--N 1.348 0.537 0 O-C-N 120.727 -1.233 . . . . 0.0 113.487 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.67 -43.71 97.33 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.738 -1.226 . . . . 0.0 113.058 177.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.03 -45.01 99.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-O 122.143 0.973 . . . . 0.0 111.833 171.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m -89.01 46.48 1.39 Allowed 'General case' 0 C--N 1.346 0.415 0 O-C-N 120.08 -1.638 . . . . 0.0 111.879 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.2 tttt 59.92 33.73 21.55 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 168.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 84.03 2.53 0.88 Allowed 'General case' 0 C--N 1.35 0.609 0 C-N-CA 129.302 3.041 . . . . 0.0 112.968 -176.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.263 20.0 p . . . . . 0 C--N 1.352 0.702 0 C-N-CA 127.521 2.329 . . . . 0.0 116.792 -171.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 N--CA 1.441 -0.882 0 CA-C-O 121.743 0.783 . . . . 0.0 109.073 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.7 mt -114.56 70.01 2.15 Favored Pre-proline 0 C--N 1.347 0.462 0 O-C-N 121.123 -0.985 . . . . 0.0 112.906 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -71.65 -5.16 16.48 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 123.601 2.867 . . . . 0.0 112.307 -177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.9 mt -59.25 -41.3 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 127.347 2.259 . . . . 0.0 111.509 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.02 -43.89 97.47 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 120.344 -1.473 . . . . 0.0 111.993 176.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.33 94.26 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.986 -1.071 . . . . 0.0 113.698 176.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 86.4 p -65.84 -45.22 83.0 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.299 -1.5 . . . . 0.0 113.524 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.7 mt -65.67 -46.12 80.32 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 174.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.2 93.93 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 119.825 -1.797 . . . . 0.0 113.122 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.54 -40.13 92.52 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -103.51 -13.03 16.75 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 120.037 -1.665 . . . . 0.0 112.465 -171.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -124.85 -3.06 7.73 Favored 'General case' 0 C--N 1.346 0.419 0 O-C-N 119.89 -1.756 . . . . 0.0 112.885 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.51 -55.1 11.37 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 117.679 1.832 . . . . 0.0 117.679 173.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.72 -28.39 37.14 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 CA-C-N 121.917 2.858 . . . . 0.0 112.049 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.6 mttp -65.34 -41.64 93.73 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 118.84 0.745 . . . . 0.0 111.971 173.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.11 -42.97 99.5 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 125.866 1.667 . . . . 0.0 112.271 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.39 -45.28 88.65 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 121.145 -0.972 . . . . 0.0 111.923 173.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 90.8 m -63.23 -37.9 89.06 Favored 'General case' 0 C--N 1.349 0.544 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 171.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.0 mt -61.59 -40.16 93.78 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.41 -1.431 . . . . 0.0 113.239 174.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 70.3 t -58.96 -36.81 63.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 C-N-CA 124.574 1.15 . . . . 0.0 112.055 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.22 -17.69 61.89 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 119.9 -1.75 . . . . 0.0 113.35 174.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? 72.35 45.01 0.38 Allowed 'General case' 0 C--N 1.353 0.73 0 C-N-CA 126.876 2.07 . . . . 0.0 111.316 -167.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 86.68 101.94 0.04 OUTLIER 'General case' 0 C--N 1.351 0.64 0 C-N-CA 128.299 2.64 . . . . 0.0 109.583 -175.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.9 p . . . . . 0 C--N 1.347 0.496 0 O-C-N 120.728 -1.232 . . . . 0.0 113.418 179.832 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 . . . . . 0 N--CA 1.442 -0.834 0 CA-C-O 121.7 0.762 . . . . 0.0 109.1 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -114.38 66.44 1.62 Allowed Pre-proline 0 C--N 1.346 0.449 0 O-C-N 121.114 -0.991 . . . . 0.0 113.443 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.41 -5.08 16.26 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.482 2.788 . . . . 0.0 111.819 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.9 mm -58.04 -42.43 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 C-N-CA 126.825 2.05 . . . . 0.0 111.625 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mp -61.8 -46.32 90.03 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 121.109 -0.994 . . . . 0.0 112.509 178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.21 98.49 Favored 'General case' 0 C--N 1.349 0.584 0 O-C-N 120.912 -1.118 . . . . 0.0 112.654 174.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.3 t -60.83 -44.32 97.1 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.936 -1.103 . . . . 0.0 113.053 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.85 -44.81 80.05 Favored 'General case' 0 C--N 1.348 0.528 0 C-N-CA 124.234 1.013 . . . . 0.0 113.319 171.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.4 97.18 Favored 'General case' 0 C--N 1.349 0.547 0 C-N-CA 124.51 1.124 . . . . 0.0 114.006 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.97 98.24 Favored 'General case' 0 C--N 1.346 0.42 0 O-C-N 120.43 -1.419 . . . . 0.0 113.746 174.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -72.65 -48.56 38.33 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.139 -1.6 . . . . 0.0 113.442 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -113.05 -18.19 12.24 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -164.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.79 -55.91 20.97 Favored Glycine 0 C--N 1.348 1.218 0 O-C-N 120.501 -1.374 . . . . 0.0 115.86 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -69.35 -3.26 11.38 Favored 'Trans proline' 0 C--N 1.331 -0.394 0 CA-C-N 121.218 2.509 . . . . 0.0 113.522 173.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -100.86 -13.01 18.55 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 119.959 1.254 . . . . 0.0 110.389 175.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.89 -42.82 99.52 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 125.857 1.663 . . . . 0.0 112.426 -171.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -58.98 -41.6 87.97 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.958 1.303 . . . . 0.0 112.161 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.3 m -66.66 -39.23 88.11 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.31 -45.39 88.12 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 120.976 -1.077 . . . . 0.0 113.31 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.22 -36.23 71.31 Favored 'Isoleucine or valine' 0 C--N 1.351 0.639 0 C-N-CA 125.434 1.494 . . . . 0.0 112.09 176.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.8 p -90.18 12.79 16.91 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 120.496 -1.377 . . . . 0.0 112.256 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.254 1.9 tmtm? 73.96 24.14 2.09 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.792 1.237 . . . . 0.0 112.869 163.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 96.5 92.9 0.01 OUTLIER 'General case' 0 C--N 1.352 0.695 0 C-N-CA 130.958 3.703 . . . . 0.0 109.848 -177.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.0 p . . . . . 0 C--N 1.35 0.623 0 CA-C-O 122.714 1.245 . . . . 0.0 114.219 177.297 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 . . . . . 0 N--CA 1.441 -0.888 0 CA-C-O 122.063 0.935 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp 66.06 177.28 0.05 OUTLIER Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 126.3 1.84 . . . . 0.0 114.556 170.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -64.25 -1.02 3.27 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.997 2.465 . . . . 0.0 114.485 172.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.7 -39.33 76.17 Favored 'Isoleucine or valine' 0 C--N 1.347 0.475 0 C-N-CA 125.997 1.719 . . . . 0.0 111.242 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.32 -44.38 95.52 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.085 -1.635 . . . . 0.0 112.995 172.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.98 -43.0 94.06 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.969 -1.082 . . . . 0.0 113.661 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.3 p -65.34 -43.43 90.95 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.418 -1.426 . . . . 0.0 113.379 176.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.86 -49.58 67.61 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.914 -1.116 . . . . 0.0 113.325 172.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.02 90.93 Favored 'General case' 0 C--N 1.347 0.482 0 O-C-N 119.587 -1.945 . . . . 0.0 113.736 -177.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.44 15.24 12.68 Favored 'General case' 0 N--CA 1.446 -0.634 0 O-C-N 120.271 -1.518 . . . . 0.0 112.836 -172.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.6 -27.55 1.03 Allowed 'General case' 0 C--N 1.347 0.49 0 O-C-N 120.697 -1.252 . . . . 0.0 111.795 168.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -118.27 -5.96 10.85 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.437 -1.415 . . . . 0.0 113.336 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.52 -55.58 9.16 Favored Glycine 0 C--N 1.352 1.457 0 N-CA-C 118.054 1.982 . . . . 0.0 118.054 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -74.44 -22.19 16.4 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 CA-C-N 121.951 2.875 . . . . 0.0 111.323 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -67.68 -43.49 80.04 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 118.725 0.693 . . . . 0.0 111.009 172.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -61.22 -44.18 97.69 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.177 1.791 . . . . 0.0 112.046 175.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.58 -44.44 89.8 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.156 0.982 . . . . 0.0 112.17 173.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.8 m -63.55 -33.27 75.21 Favored 'General case' 0 C--N 1.347 0.466 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 171.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.0 mt -70.01 -20.57 63.27 Favored 'General case' 0 C--N 1.346 0.439 0 O-C-N 120.662 -1.274 . . . . 0.0 114.102 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.15 -39.43 73.06 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 124.254 1.022 . . . . 0.0 111.686 173.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.26 16.87 7.85 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.405 -1.434 . . . . 0.0 111.337 179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt 65.1 40.78 4.88 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 126.332 1.853 . . . . 0.0 112.441 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 82.93 99.57 0.05 OUTLIER 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.099 2.16 . . . . 0.0 109.72 -176.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 C--N 1.347 0.457 0 O-C-N 120.693 -1.254 . . . . 0.0 114.208 178.604 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.1 p90 . . . . . 0 N--CA 1.445 -0.686 0 CA-C-O 122.136 0.969 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.1 mp -61.1 144.76 90.66 Favored Pre-proline 0 N--CA 1.447 -0.585 0 C-N-CA 124.936 1.294 . . . . 0.0 113.193 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.72 -5.91 17.32 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 123.326 2.684 . . . . 0.0 112.458 -174.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.7 mt -59.52 -40.98 83.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 126.928 2.091 . . . . 0.0 111.01 168.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.08 -45.89 90.01 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.514 -1.366 . . . . 0.0 111.506 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.39 -44.3 91.73 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.083 0.953 . . . . 0.0 113.381 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.2 p -64.1 -42.62 96.82 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 120.361 -1.462 . . . . 0.0 113.591 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.89 -42.78 89.84 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 126.05 1.74 . . . . 0.0 113.951 170.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.09 85.38 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 120.074 -1.641 . . . . 0.0 111.762 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.8 23.99 0.31 Allowed 'General case' 0 N--CA 1.445 -0.709 0 O-C-N 120.871 -1.143 . . . . 0.0 114.062 172.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -130.08 -34.35 1.68 Allowed 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.036 -1.665 . . . . 0.0 109.871 161.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -111.61 -4.5 14.73 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -169.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.5 -56.98 6.85 Favored Glycine 0 C--N 1.35 1.334 0 N-CA-C 118.397 2.119 . . . . 0.0 118.397 -177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -78.23 -21.63 10.37 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 CA-C-N 122.099 2.949 . . . . 0.0 110.715 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -66.92 -38.94 87.13 Favored 'General case' 0 C--N 1.347 0.494 0 C-N-CA 123.478 0.711 . . . . 0.0 111.444 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -60.31 -43.19 96.56 Favored 'General case' 0 C--N 1.348 0.527 0 C-N-CA 126.119 1.768 . . . . 0.0 112.296 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -59.09 -44.55 91.94 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.957 -1.089 . . . . 0.0 111.632 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.43 -36.75 85.17 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 172.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.15 -43.06 99.36 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.44 1.473 . . . . 0.0 113.334 170.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.62 -35.15 57.8 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 O-C-N 120.529 -1.357 . . . . 0.0 111.702 173.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 m -91.44 2.01 56.72 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 125.518 1.527 . . . . 0.0 111.341 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . 0.251 6.2 mptt 62.35 52.7 2.99 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 125.85 1.66 . . . . 0.0 115.097 177.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt 85.58 58.45 0.01 OUTLIER 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.282 1.833 . . . . 0.0 112.419 172.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.7 p . . . . . 0 C--N 1.351 0.67 0 O-C-N 120.228 -1.545 . . . . 0.0 112.622 171.465 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 N--CA 1.436 -1.132 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.0 mt -113.26 65.95 1.07 Allowed Pre-proline 0 C--N 1.349 0.57 0 O-C-N 120.603 -1.311 . . . . 0.0 113.586 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -70.62 -7.19 20.75 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.02 2.48 . . . . 0.0 111.841 177.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.515 ' H ' HD12 ' A' ' 4' ' ' ILE . 4.1 mp -58.21 -41.53 81.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 C-N-CA 126.16 1.784 . . . . 0.0 111.113 172.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.07 -46.05 90.82 Favored 'General case' 0 C--N 1.351 0.665 0 O-C-N 121.097 -1.002 . . . . 0.0 113.204 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.71 -42.83 97.88 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.229 1.014 . . . . 0.0 112.616 173.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.7 t -61.41 -44.23 97.5 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.899 -1.126 . . . . 0.0 113.117 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.91 -47.3 78.27 Favored 'General case' 0 C--N 1.349 0.545 0 O-C-N 121.225 -0.922 . . . . 0.0 112.89 171.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.36 93.64 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.996 -1.065 . . . . 0.0 113.544 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.64 -35.65 74.82 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 120.97 -1.081 . . . . 0.0 113.797 175.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -101.09 8.19 42.94 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.401 -1.437 . . . . 0.0 112.901 -176.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -138.47 -16.02 1.21 Allowed 'General case' 0 C--N 1.349 0.554 0 O-C-N 120.605 -1.309 . . . . 0.0 114.074 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.55 -57.61 6.49 Favored Glycine 0 C--N 1.35 1.351 0 N-CA-C 118.767 2.267 . . . . 0.0 118.767 -178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -72.72 -28.93 13.34 Favored 'Trans proline' 0 CA--C 1.518 -0.314 0 CA-C-N 122.637 3.219 . . . . 0.0 111.189 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -64.24 -38.36 90.77 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.16 0.984 . . . . 0.0 112.139 174.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.0 tp -61.44 -42.83 99.36 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 124.932 1.293 . . . . 0.0 112.863 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -59.65 -43.92 93.74 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.214 -0.929 . . . . 0.0 111.617 172.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.7 m -62.4 -41.26 98.53 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 120.616 -1.302 . . . . 0.0 114.481 171.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.74 -44.42 96.95 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 120.218 -1.551 . . . . 0.0 113.666 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.63 -39.46 81.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 C-N-CA 124.361 1.064 . . . . 0.0 111.32 173.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 m -90.76 23.09 3.24 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 120.738 -1.226 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt 58.86 40.7 22.46 Favored 'General case' 0 C--N 1.352 0.683 0 C-N-CA 126.342 1.857 . . . . 0.0 115.718 169.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 102.08 -6.48 0.02 OUTLIER 'General case' 0 C--N 1.351 0.655 0 C-N-CA 131.286 3.835 . . . . 0.0 111.704 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.258 31.3 p . . . . . 0 C--N 1.353 0.752 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -172.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 47.0 p90 . . . . . 0 N--CA 1.438 -1.047 0 CA-C-O 122.177 0.989 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 63.0 mt 46.88 54.91 15.89 Favored Pre-proline 0 C--N 1.351 0.668 0 N-CA-C 117.921 2.563 . . . . 0.0 117.921 176.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.24 -7.83 22.17 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.374 2.716 . . . . 0.0 112.236 -169.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 36.9 mm -59.33 -41.1 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 C-N-CA 125.885 1.674 . . . . 0.0 110.998 168.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.39 -45.69 92.02 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 121.115 -0.991 . . . . 0.0 112.775 177.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.41 99.3 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 122.344 1.069 . . . . 0.0 112.527 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.8 t -62.09 -44.55 96.42 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.344 -1.472 . . . . 0.0 113.355 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.95 -43.26 99.28 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 124.885 1.274 . . . . 0.0 113.026 173.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.77 90.92 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.448 1.099 . . . . 0.0 112.676 175.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.02 91.07 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 120.421 -1.425 . . . . 0.0 114.41 171.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.8 mmtm -73.38 -45.91 52.07 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 119.478 -2.014 . . . . 0.0 113.295 176.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -114.98 -11.97 12.07 Favored 'General case' 0 C--N 1.348 0.515 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 -163.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.11 -57.35 9.0 Favored Glycine 0 C--N 1.348 1.237 0 N-CA-C 117.606 1.803 . . . . 0.0 117.606 -176.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -72.93 -6.5 19.11 Favored 'Trans proline' 0 C--N 1.333 -0.286 0 CA-C-N 121.901 2.851 . . . . 0.0 112.38 177.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -99.3 -11.47 21.22 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 118.981 0.81 . . . . 0.0 110.231 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.79 -43.87 97.67 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 125.425 1.49 . . . . 0.0 111.952 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -59.97 -41.94 93.06 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 125.161 1.384 . . . . 0.0 111.932 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.7 m -63.5 -45.57 90.08 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.95 -1.094 . . . . 0.0 113.41 170.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.2 mt -60.39 -43.05 97.03 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 120.557 -1.339 . . . . 0.0 113.725 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.92 -40.86 84.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.656 0 CA-C-O 122.254 1.026 . . . . 0.0 111.271 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 m -85.98 34.04 0.61 Allowed 'General case' 0 C--N 1.346 0.426 0 O-C-N 120.287 -1.508 . . . . 0.0 111.6 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt 73.32 15.68 4.27 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 119.487 -2.008 . . . . 0.0 114.539 167.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm 100.18 3.7 0.02 OUTLIER 'General case' 0 C--N 1.35 0.628 1 C-N-CA 131.971 4.108 . . . . 0.0 111.505 -175.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.281 22.0 p . . . . . 0 C--N 1.353 0.734 0 C-N-CA 126.768 2.027 . . . . 0.0 115.897 -172.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 N--CA 1.439 -0.998 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.79 138.54 97.01 Favored Pre-proline 0 CA--C 1.54 0.571 0 O-C-N 120.187 -1.57 . . . . 0.0 113.642 -176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -71.75 -6.02 18.26 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.466 2.777 . . . . 0.0 111.966 -174.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.0 mt -58.49 -41.77 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 126.01 1.724 . . . . 0.0 110.488 169.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.06 -43.86 97.43 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 123.994 0.917 . . . . 0.0 113.015 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.97 98.82 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 122.223 1.011 . . . . 0.0 112.676 172.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 120.738 -1.226 . . . . 0.0 113.692 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.06 -44.05 90.26 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.907 -1.121 . . . . 0.0 113.07 170.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.76 96.09 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.823 1.249 . . . . 0.0 113.716 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.65 98.56 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.564 -1.335 . . . . 0.0 114.024 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -71.99 -45.38 61.17 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -107.36 -14.56 14.84 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.826 -1.171 . . . . 0.0 113.156 -168.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.61 -54.0 11.87 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 117.393 1.717 . . . . 0.0 117.393 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -71.29 -7.0 20.41 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 CA-C-N 122.714 3.257 . . . . 0.0 112.398 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -108.1 -3.9 18.22 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 119.263 0.938 . . . . 0.0 111.998 173.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.16 -44.9 90.69 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 120.475 -1.39 . . . . 0.0 111.175 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -59.77 -40.25 87.56 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 125.611 1.564 . . . . 0.0 111.897 173.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.5 m -63.61 -45.37 90.63 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 121.011 -1.056 . . . . 0.0 113.56 171.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 76.8 mt -60.62 -42.92 97.8 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.751 -1.218 . . . . 0.0 113.378 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.48 -43.64 97.17 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-O 122.229 1.014 . . . . 0.0 111.507 170.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.2 m -87.38 48.02 1.59 Allowed 'General case' 0 C--N 1.346 0.445 0 O-C-N 120.133 -1.604 . . . . 0.0 111.776 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 67.8 tttt 64.99 24.38 12.63 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 120.063 -1.648 . . . . 0.0 115.14 169.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 83.55 8.16 0.63 Allowed 'General case' 0 C--N 1.351 0.631 0 C-N-CA 129.098 2.959 . . . . 0.0 112.367 -174.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.267 19.1 p . . . . . 0 C--N 1.352 0.712 0 C-N-CA 127.976 2.51 . . . . 0.0 116.557 -171.932 . . . . . . . . 1 1 . 1 stop_ save_